Crystallography around the world: United Kingdom

National associations or societies

 British Crystallographic Association
 British Association for Crystal Growth
 The Mineralogical Society of Great Britain and Ireland

UK

Category V

Adhering Body

The British Crystallographic Association

Secretary of National Committee

L. HATCHER, University of Cardiff, UK

National Committee


H. BLADE
A. BLUE CARTER
R. COOPER (Chair)
C. DOHERTY
I. GIMONDI
L. HATCHER (Secretary)
C. NAYLOR (Treasurer)
G. NICHOL
H. PLAYFOOT
M. ROE
L. SAUNDERS
S. WARD(Vice Chair)
B. YORKE

This information last updated: 15 Jun 2023

The following crystallographers in United Kingdom are registered in the World Directory of Crystallographers.

(IUCr) crystallographers in UK

801 entries found

  • Abell, Professor Stuart Professor of Functional Materials. School of Metallurgy and Materials, University of Birmingham, Birmingham, B15 2TT, England.
  • Abrahams, Dr Isaac Lecturer. Chemistry, Queen Mary, University of London, Mile End Road, E1 4NS, London, United Kingdom.
  • Acharya, Professor K. Ravi Professor of Structural Molecular Biology. Biology and Biochemistry, University of Bath, 4 South 0.29, Claverton Down, BA2 7AY, Bath, United Kingdom.
  • Adams, Dr Margaret Joan Fellow Emeritus Somerville College. Department of Biochemistry, South Parks Road, Oxford, OX1 3QU, England.
  • Adamson, Dr Roslin Jane Postdoctoral Researcher. Biochemistry, University of Oxford, -, -, Oxford, United Kingdom.
  • Agirre, Dr Jon Royal Society Olga Kennard Research Fellow at YSBL, Department of Chemistry, The University of York, UK. York Structural Biology Laboratory, The University of York, Wentworth Way, North Yorkshire, YO10 5DD, Heslington, York, United Kingdom.
  • Ahmed, Dr Sabiyah Jannat Application Scientist. Surface Measurement Systems Ltd., -, -, -, London, United Kingdom.
  • Alcock, Dr Nathaniel W. Reader emeritus. Department of Chemistry, University of Warwick, Coventry, CV4 7AL, England.
  • Alegre, Dr Kamela BBSRC Postdoctoral Researcher. School of Biological Sciences, Queen's University Belfast, 97 Lisburn Rd, BT97BL, Belfast, United Kingdom.
  • Alguel, Dr Yilmaz Membrane protein Crystallographer, Research Associate. Life Sciences, Imperial College London, Exhibition Road, SW7 2AZ, London, United Kingdom.
  • alianelli, Dr lucia scientist. Science Division, Diamond Light Source Ltd., Harwell Science and Innovation Campus, OX11 0DE, Didcot, United Kingdom.
  • Allan, Dr David Robert Principal Beamline Scientist. Diamond Light Source Ltd, Diamond House, Chilton, Didcot, Oxfordshire, OX11 0DE, United Kingdom.
  • Aller, Dr Pierre Senior Support Scientist. Life science, Diamond Light Source, Harwell Science and Innovation campus, OXON, OX11 0DE, Didcot, United Kingdom.
  • Al-Madhagi, Miss Laila PhD student. School Of Chemical And Process Engineering, University Of Leeds, Woodhouse lane, LS2 9JT, Leeds, United Kingdom.
  • Alvani, Mr Kamran researcher. Glycologic Limited, 70 Cowcaddens Road, G4 0BA, Glasgow, United Kingdom.
  • Anandapadamanaban, Dr Madhanagopal Postdoctoral Scientist. MRC Laboratory of Molecular Biology, Research Institution, Francis Crick Avenue, Cambridgeshire, CB2 0QH, Cambridge, United Kingdom.
  • Andersen, Dr Ole Andreas Senior Scientist. Ole Andreas Andersen, Structural Biology, Evotec (U.K.) Ltd, 114 Milton Park, Abingdon, Oxon OX14 4SA, United Kingdom.
  • Andreev, Dr Yuri Powder X-ray diffraction specialist. School of Chemistry, University of St Andrews, The Purdie Building, St Andrews, Fife KY16 9ST, Scotland.
  • Andrews, Dr Philip Scientific Editor. Cambridge Crystallographic Data Centre, 12 Union Road, CB2 1EZ, Cambridge, United Kingdom.
  • Andrews, Dr Steven John Senior Research Scientist. -, SJA Associates, -, Cheshire, -, Warrington, United Kingdom.
  • Antonyuk, Dr Svetlana Senior Research Fellow. Institute of Integrative Biology, University of Liverpool, Crown street, UK, L697ZB, Liverpool, United Kingdom.
  • Antson, Dr Alfred structural biology. Chemistry, University of York, Heslington, YO10 5DD, York, United Kingdom.
  • Anwar, Professor Jamshed Professor of Computational Chemistry. Faculty of Science and Technology, Lancaster University, A74 (Physics) Faraday Building, LA1 4YB, Bailrigg, Lancaster, United Kingdom.
  • Aragao, Dr David Researcher. Diamond Light Source, Diamond Light Source Ltd, Oxfordshire, OX11 0DE, Didcot, United Kingdom.
  • Ashbrook, Professor Sharon Professor of Physical Chemistry. School of Chemistry, University of ST Andrews, North Haugh, KY16 9ST, St Andrews, United Kingdom.
  • Ashcroft, Dr Alexander Executive Secretary. International Union of Crystallography, 2, Abbey Square, Cheshire, CH1 2HU, Chester, United Kingdom.
  • Aspden, Professor Richard Professor. Department of Orthopaedics, University of Aberdeen, IMS Building, Foresterhill, Aberdeen, AB25 2ZD, UK.
  • Attfield, Dr J. Paul Reader in Materials Chemistry. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, England.
  • Aylett, Dr Christopher Research Fellow. Section for Structural Biology, Department of Infectious Disease, Imperial College London, Exhibition Road, SW7 2BB, London, United Kingdom.
  • Azad, Dr Abul Research/Teaching. School of Chemistry, University of St-Andrews, North Haugh, KY16 9ST, St Andrews, United Kingdom.
  • Baker, Dr Patrick J. Lecturer. The Krebs Institute, Department of Molecular Biology, University of Sheffield, Firth COurt, Western Bank, Sheffield, S10 2TN, U.K.
  • Balakrishnan, Professor Geetha Professor. Physics, University of Warwick, Gibbet Hill Road, CV4 7AL, Coventry, United Kingdom.
  • Baltulionis, Mr Gediminas Doctoral Researcher. Biological Sciences, University of Reading, Room 125 | Harborne Building, RG6 6AS, Reading, United Kingdom.
  • Barker, Dr Jerry Scientist. 10 Home Farm Close, Oxfordshire, OX7 6EH, Shipton under Wychwood, United Kingdom.
  • Barnes, Dr Hazel A. Tutor. 5 Scotswood Crescent, Wormit, Newport-on-Tay, Fife, DD6 8PU, Scotland.
  • Barnes, Dr John Conquest Honorary Lecturer. School of Life Sciences, Carnelley Building, University of Dundee, Dundee, DD1 4HN, Scotland.
  • Barnes, Professor Paul Professor in Applied Crystallography. Department of Crystallography, c/o Biological Sciences, Birkbeck College, Malet Street, London, WC1E 7HX, England.
  • Barr, Dr Gordon Postdoctoral Researcher. Department of Chemistry, Theoretical Crystallography Group, Joseph Black Building, University of Glasgow, G12 8QQ, Glasgow, United Kingdom.
  • Basak, Dr Ajit Kumar Research and teaching. Dr. A. K. Basak, School of Crystallography, Birkbeck College, Malet Street, London WC1E 7HX, UK.
  • Batsanov, Dr Andrei S. Senior Research Associate. Dr. A.S. Batsanov, Chemistry Department, University of Durham, South Road, Durham DH1 3LE, U.K.
  • Bavro, Dr Vassiliy Reader. School of Life Sciences, University of Essex, Wivenhoe Park, CO4 3SQ, Colchester, United Kingdom.
  • Bax, Dr Ben Reader. Medicines Discovery Institute, Cardiff University, Main Building, Park Place, Wales, CF10 3AT, Cardiff, United Kingdom.
  • Beagley, Dr Brian Reader, retired. Department of Chemistry, UMIST, PO Box 88, Manchester, M60 1QD, England.
  • Beanland, Dr Richard Reader. Department of Physics, The University of Warwick, Coventry, CV4 7AL, England.
  • Beavers, Dr Christine Principal Beamline Scientist. Christine M. Beavers, PhD, Diamond Light Source Ltd, Diamond House, 2.26, Harwell Science & Innovation Campus, Didcot, Oxfordshire, OX11 0DE.
  • Beis, Dr Konstantinos RCUK Fellow/PI. Molecular Biosciences, Imperial College London, Exhibition Road, SW7 2AZ, South Kensington, London, United Kingdom.
  • Bell, Dr Anthony Martin Thomas Experimental Officer. Sheffield Hallam University, City Campus, Howard Street, Sheffield, S1 1WB.
  • Bella, Dr Jordi Lecturer. Faculty of Life Sciences, University of Manchester, Oxford Road, M13 9PT, Manchester, United Kingdom.
  • bellini, Dr dom scientist. MRC Laboratory of Molecular Biology, Francis Crick Avenue, -, CB2 0QH, Cambridge, United Kingdom.
  • Bennett, Dr Pauline M. Scientific Staff. MRC Muscle and Cell Motility Unit, The Randall Institute, King's College London, 26-29 Drury Lane, London, WC2B 5RL, England.
  • bennett, Dr thomas research fellow. materials science and Metallurgy, charles babbage road, cambridge, United Kingdom.
  • Berger, Dr Imre Group Leader. University of Bristol, -, -, Bristol, United Kingdom.
  • Berry, Dr Amanda S. Managing Editor (Acta Cryst. B) Customer Support Officer. International Union of Crystallography, 5 Abbey Square, Chester, CH1 2HU, England.
  • Betz, Miss Katja Research Associate. Department of Chemistry, Durham University, South Road, DH1 3LE, Durham, United Kingdom.
  • Beveridge, Dr David Research Chemist - retired. Harman Technology Ltd - Ilford Photo, Mobberley, Knutsford, Cheshire, WA16 7JL, England.
  • Bird, Dr Louise Elizabeth Head of Protein Science Group. Exscientia, -, Oxford, United Kingdom.
  • Bladon, Dr Peter Retired but still writing software!. Dr Peter Bladon, Gallowhill House, Larch Avenue, Lenzie, Kirkintilloch, Glasgow G66 4HX, Scotland, United Kingdom.
  • Blair, Dr Lisa Helen Formulations Chemist. Cranfield University, College Road, MK43 0AL, Cranfield, United Kingdom.
  • Blake, Professor Alexander John Professor of Chemical Crystallography, retired 2018. 2 Maitland Park Road, Musselburgh, EH21 6DX, United Kingdom.
  • Bloomer, Dr Anne C. MRC Staff Scientist, retired. MRC Laboratory of Molecular Biology, Hills Road, CB2 2QH, Cambridge, United Kingdom.
  • Blundell, Dr Toby Senior Experimental Officer. Department of Chemistry, Durham University, South Road, DH1 3LE, Durham, United Kingdom.
  • Blundell, Professor Dr Tom Leon Director of Research & Professor Emeritus of Biochemistry. Department of Biochemistry, University of Cambridge, Tennis Court Road, Cambridge, CB2 1QW, England.
  • Bolanos-Garcia, Dr Victor Senior Lecturer. Biological and Medical Sciences, Oxford Brooks University, Gipsy Lane, OX3 0BP, Oxford, United Kingdom.
  • Bond, Dr Andrew D. Academic. Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, United Kingdom.
  • Borkakoti, Dr Nivedita Neera Research Scientist, retired. Roche Products Ltd, PO Box 8., Herts, AL7 3AY, Welwyn Garden City, United Kingdom.
  • Bountra, Mr Kiran PhD student. Life Sciences, Imperial College London, 19 Cambridge Grove, W6 0LA, London, United Kingdom.
  • Bowen, Professor David Keith Group Director of Technology. GOHDR LTD, 78 WOODCOTE AVENUE, CV8 1BE, KENILWORTH, United Kingdom.
  • Bradley, Mr Anthony Project leader. OxXChem, University of Oxford, -, -, Oxford, United Kingdom.
  • Bradshaw, Professor Jeremy Pro-Vice-Chancellor (International & Doctoral). Vice Chancellor's Office, University of Bath, Claverton, -, Bath, United Kingdom.
  • Brady, Professor Robert Leo Professor of Biochemistry. Department of Biochemistry, University of Bristol, Bristol, BS8 1TD, England.
  • Brammer, Professor Lee Professor of Chemistry. Department of Chemistry, University of Sheffield, Brook Hill, Sheffield, S3 7HF, UK.
  • Brandao-Neto, Mr Jose Research Scientist. DR1.78, Diamond House, Harwell Campus, Chilton, OX11 0DE, UK.
  • Brannigan, Dr James Research Scientist. Structural Biology Lab, University of York, Heslington, YO10 5DD, York, United Kingdom.
  • Briggs, Dr David Christopher Postdoctoral Research Associate. The Francis Crick Institute, -, -, London, United Kingdom.
  • Britton, Dr K. Linda Research Associate. Molecular Biology, The Krebs Institute, University of Sheffield, PO Box 594, S10 2UH, Sheffield, United Kingdom.
  • Brooks-Bartlett, Mr Jonathan Former student. Biochemistry, University of Oxford, Department of Biochemistry, Oxfordshire, OX1 3QU, Oxford, United Kingdom.
  • Brown, Professor David Strcutural Biologist. Biosciences, University of Kent, Ingram building, Kent, CT2 7NH, Canterbury, United Kingdom.
  • Brown, Dr James Postdoctoral Scientist. Division of Structural Biology, Sir Henry Wellcome Building of Genomic Medicine, University of Oxford, Roosevelt Drive, Oxfordshire, OX3 7BN, Oxford, United Kingdom.
  • Brown, Dr Katherine Anne Reader. Department of Biological Science, CMMI, Flowers Building, Imperial College, Exhibition Road, London, SW7 2AY, England.
  • Brown, Dr Kieron Research Scientist. Vertex Pharmaceuticals (Europe) Ltd, 88 Milton Park, OX14 4RY, Abingdon, United Kingdom.
  • Browne, Mr Ken Scientific Publisher. Select Biosciences Ltd., Crestland House, Bull Lane, Suffolk, CO10 0BD, SUDBURY, United Kingdom.
  • Bruno, Dr Ian J. Database Group Manager. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, England.
  • Bryant, Dr Patrick Kevin Retired Senior Experimental Officer in X-ray Crystallography. 7 High Street, Church Eaton, Stafford, ST200AG, UK.
  • Brzozowski, Professor Andrzej Marek Professor. Structural Biology Laboratory, University of York, Heslington, YO10 5WY, York, United Kingdom.
  • Bucar, Mr Dejan-Kresimir Lecturer and UCL Excellence Fellow. Depertment of Chemistry, University College London, 20 Gordon Street, WC1H 0AJ, London, United Kingdom.
  • Bull, Dr Craig Instrument Scientist. ISIS, STFC, Rutherford Appleton Lab, OX11 0QX, Didcot, United Kingdom.
  • Bullough, Professor Per Professor. MBB, University of Sheffield, Western Bank, S32 3YY, Sheffield, United Kingdom.
  • Bunkoczi, Dr Gabor research associate. CIMR Haematology, University of Cambridge, Wellcome Trust/MRC building, Addenbrooke's Hospital, Hills Road, CB2 0XY, Cambridge, United Kingdom.
  • Bunning, Dr John David Senior Lecturer. Division of Applied Physics, Sheffield Hallam University, Howard Street, Sheffield, S1 1WB, England.
  • Burnley, Dr Tom Researcher. Rutherford Appleton Laboratory, STFC, -, Oxfordshire, OX11 0QX, Chilton, Didcot, United Kingdom.
  • Bushnell-Wye, Dr Graham Divisional Manager. STFC Daresbury Laboratory, Daresbury Science & Innovation Campus, Daresbury, Warrington, Cheshire, WA4 4AD, UK.
  • Calam, Mr Christopher Brian Product Manager. Thermo Spectroscopy, 9 St. Gabriels Court, Staffordshire, ST7 2FT, Alsager, Stoke-on-Trent, United Kingdom.
  • Callear, Dr Samantha K. post-doctoral research fellow. Rutherford Appleton Laboratory, ISIS STFC, -, -, OX11 0QX, Didcot, United Kingdom.
  • Cameron, Dr Alexander Associate Professor. Department of Life Sciences, University of Warwick, Gibbet Hill Road, CV4 7AL, Coventry, United Kingdom.
  • Campbell, Mr Josh PhD Student. Chemistry, University of Southampton, Highfield, Hampshire, So16 1BJ, Southampton, United Kingdom.
  • Campeotto, Dr Ivan Assistant Professor. Biosciences, University of Nottingham, -, Nottingham, -, Nottingham, United Kingdom.
  • Capelli, Dr Silvia Instrument Scientist. Crystallography Group, ISIS neutron and muon source, Harwell Science Campus, OX11 0QX, Didcot, United Kingdom.
  • Capper, Mr Michael Postdoctoral Research Associate. Institute of Integrative Biology, University of Liverpool, Crown Street, L6, Liverpool, United Kingdom.
  • Cardin, Professor Christine J. Professor of Crystallography. Chemistry Department, The University of Reading, Whiteknights, Reading, RG6 6AD, England.
  • Caria, Dr Sofia Senior scientist. Structural Biology, Evotec Abingdon, 114 Innovation Dr, Milton Park, Milton, Oxfordshire, OX14 4RZ, Abingdon, United Kingdom.
  • Carpenter, Dr Liz Principal Investigator and Group Head / PI. Campus Research Building, Old Road, Oxford, United Kingdom.
  • Carrington, Dr Elliot Trainee Patent Attorney. Marsk&Clerk, -, -, Manchester, United Kingdom.
  • Carter, Dr Richard J. Senior Scientist. Oxford Nanopore Technologies, Oxford Science Park, OX4 4GA, Oxford, United Kingdom.
  • Cartwright, Dr Michael Senior Lecturer. Centre for Environmental and Chemical Systems, Cranfield University (RMCS), Shrivenham, Swindon, Wilts., SN6 8LA, England.
  • Catlow, Professor C. Richard A. Professor. Department of Chemistry, UCL, 20 Gordon Street, WC1H 0AJ, London, United Kingdom.
  • Cave, Dr Gareth Inorganic Chemistry Lecturer. School of Biomedical & Natural Sciences, Nottingham Trent University, Clifton lane, Nottinghamshire, NG11 8NS, Nottingham, United Kingdom.
  • Ceccarelli, Dr Christopher Sr Research Chemist, retired. Oxford Diffraction, 10 Mead Road, Oxfordshire, OX5 1QU, Yarnton, United Kingdom.
  • Cernik, Professor Robert Joseph Professor of Materials. School of Materials, The University of Manchester, Grosvenor St, M1 7HS, Manchester, United Kingdom.
  • Chavali, Dr Gayatri Postdoctoral fellow. No longer at, European Bioinformatics Institute, Wellcome Trust Genome Campus, Cambridgeshire, CB10 1SD, Cambridge, United Kingdom.
  • Chayen, Professor Naomi E. Professor of Biomedical Sciences. Professor Naomi E. Chayen, Computational and Systems Medicine, Department of Surgery and Cancer, Faculty of Medicine, Imperial College London, Sir Alexander Fleming Building, London SW7 2AZ, UK.
  • Cheetham, Dr Graham Mark Thomas Research Fellow. MRC Laboratory of Molecular Biology, Hills Road, CB2 2QH, Cambridge, United Kingdom.
  • Chen, Mr Zhihong ?. Department of Materials Science and Engineering, University of Sheffield, Sir Robert Hadfield Building, Mappin Street, South Yorkshire, S1 3JD, Sheffield, United Kingdom.
  • Cheung, Dr Kan-Cheung Accelerator Beam Line Experimental Officer?. Dalton Cumbrian Facility, The University of Manchester, Westlakes Science & Technology Park, Cumbria, CA24 3HA, Moor Row, United Kingdom.
  • Chiduza, Mr George Nyasha PhD student. Molecular Biophysics Group, Department of Biochemistry, University of Liverpool, Crown Street, Merseyside, L14 4BB, Liverpool, United Kingdom.
  • Chippindale, Professor Ann Mary Professor. Department of Chemistry, University of Reading, Whiteknights, Reading, Berks RG6 6DX.
  • Chisholm, Dr Greig Technical Project Manager. Peak Scientific, Fountain Crescent Inchinnan, PA4 9RE, Inchinnan, United Kingdom.
  • Cho, Dr YongJin Research Fellow. School of Physics & Astronomy, University of Nottingham, -, NG7 2RD, Nottingham, United Kingdom.
  • Chong, Dr Samantha Yu-ling Postdoctoral research assistant. Department of Chemistry, University of Liverpool, Crown Street, Merseyside, L69 7ZD, Liverpool, United Kingdom.
  • Christensen, Dr Jeppe Postdoc - UK national crystallography service. Beamline I19, Diamond Light Source ltd., Rutherford Appleton Laboratory, Oxfordshire, OX11 0DA, Didcot, United Kingdom.
  • Churchill-Angus, Miss Alicia Senior Crystallographer. Evotec (United Kingdom), -, -, -, Abingdon, United Kingdom.
  • Clackson, Dr Stephen Gregory Partner, Clackson Partners. West Manse, Sanday, Orkney, KW17 2BN.
  • Claridge, Dr John Bleddyn Lecturer. Chemistry, University of Liverpool, Crown Street, L69 7ZD, Liverpool, United Kingdom.
  • Cleasby, Dr Anne Research Scientist. Glaxo Research and Development Ltd, Biomolecular Structure Department, Greenford Road, Greenford, Middlesex, UB6 0HE, England.
  • Clegg, Professor William Emeritus Professor and Senior Research Investigator. School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne, NE1 7RU, England.
  • Cliffe, Dr Matthew Assistant Professor. Materials Chemistry, University of Nottingham, -, -, Nottingham, United Kingdom.
  • Clifton, Dr Ian Jeffrey Postdoctoral Research Assistant. Chemistry Research Laboratory, Mansfield Road, Oxford, OX1 3TA, England.
  • Coates, Dr Chloe Research associate. Yusuf Hamied Department of Chemistry, University of Cambridge, Grey Lab., -, Cambridge, United Kingdom.
  • Cockcroft, Dr Jeremy Karl Senior Lecturer. Department of Chemistry (UCL), Christopher Ingold Laboratories, 20 Gordon Street, London, WC1H 0AJ, United Kingdom.
  • Coker, Dr Alun Senior Lecturer. Alun R. Coker, Centre for Amyloidosis and Acute Phase Proteins, Division of Medicine (Royal Free Campus), University College London, Rowland Hill Street, London, NW32PF.
  • Cole, Dr Jacqueline Royal Society University Research Fellow. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW., UK.
  • Cole, Dr Jason C. External Applications Group Manager. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, United Kingdom.
  • Coles, Professor Simon Professor of Structural Chemistry & Director, UK National Crystallography Service. School of Chemistry, Faculty of Engineerign and Physical Sciences, University of Southampton, Southampton, SO17 1BJ, England.
  • Coles, Dr Susanne Project Manager. Knowledge Transfer Network., -, Hampshire, -, Andover, United Kingdom.
  • Collingham, Dr Charlotte Postdoctoral Researcher. Charlie Collingham.
  • Collins, Professor Stephen Scientist. Diamond Light Source Ltd, Harwell Science and Innovation Campus, Oxfordshire, OX11 0DE, Didcot, United Kingdom.
  • Collison, Dr David Professor Of Inorganic Chemistry. Chemistry Department, The University, Manchester, M13 9PL, England.
  • Connor, Miss Lauren Evelyn PhD researcher. Strathclyde institute of Pharmacy and Biomedical Science, University of Strathclyde, 16 Richmond Street, Glasgow, G1 1XQ, Glasgow, United Kingdom.
  • Convery, Dr Máire Ann Protein Crystallographer. Protein Structure Group, GlaxoSmithKline, Medicines Research Centre, Hertfordshire, SG1 2NY, Stevenage, United Kingdom.
  • Conway, Mr Sean Managing Editor (Acta Cryst. C). International Union of Crystallography, 5 Abbey Square, Chester, CH1 2HU, England.
  • Cook, Dr Atlanta Researcher. Wellcome Trust Centre for Cell Biology, University of Edinburgh, Michael Swann Building, Mayfield Road, EH9 3JR, Edinburgh, United Kingdom.
  • Cook, Ms Carol Administration Assistant. IUCr, 5 Abbey Square, Cheshire, CH1 2HU, Chester, United Kingdom.
  • Cooper, Professor Jonathan B. Emeritus Professor of Structural Biology. Laboratory for Protein Crystallography, Centre for Amyloidosis and Acute Phase Proteins, UCL Division of Medicine (Royal Free Campus), Rowland Hill Street, London, NW3 2PF.
  • Cooper, Professor Malcolm John Professor; Chair, Department of Physics. -, -, United Kingdom.
  • Cooper, Professor Richard Ian Head of Chemical Crystallography. Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxfordshire, OX1 3QR, Oxford, United Kingdom.
  • Copley, Dr Royston C.B. Crystallographic Investigator. Computational, Analytical and Structural Sciences, GlaxoSmithKline Research and Development, NFSP(N), Third Avenue, Essex, CM19 5AW, Harlow, United Kingdom.
  • Cordes, Dr David B. X-Ray Crystallographer. School of Chemistry, University of St Andrews, Purdie Building, North Haugh, Fife, KY16 9ST, St-Andrews, United Kingdom.
  • Corner, Mr Philip PhD Student. Durham University, School of Medicine, Pharmacy and Health (Pharmacy), Wolfson Building Rm G115, Queen’s Campus, University Boulevard, Stockton-on-Tees, TS17 6BH.
  • Cornish, Miss Katy PhD student. Department of Chemistry, Durham University, South Road, County Durham, DH1 3LE, Durham, United Kingdom.
  • Corpinot, Mrs Merina PhD student. Department of Chemistry, University College London, 20, Gordon Street, WC1H 0AJ, London, United Kingdom.
  • Cotrim, Mrs Camila Protein Biochemist. Better Diary, -, -, London, United Kingdom.
  • Cousins, Dr Christopher Stanley George Retired. Cubberley House, The Berry, Thorverton, Devon EX5 5NT, UK.
  • Cowan, Dr Angus Post-Doctoral Scientist. Ciulli Laboratory, University of Dundee, -, -, -, Dundee, United Kingdom.
  • Cowtan, Dr Kevin Douglas Research Fellow. York Structural Biology Laboratory, Department of Chemistry, University of York, Heslington, York, YO10 5DD, England.
  • Cox, Dr Philip John Reader (retired). The Robert Gordon University, School of Pharmacy, Schoolhill, Aberdeen, AB10 1FR, Scotland.
  • Crennell, Kathleen Mary Consultant. 'Greytops', The Lane, Chilton, Oxon, OX11 0SE, Didcot, United Kingdom.
  • Crennell, Dr Susan Teaching Fellow. Department of Biology and Biochemistry, University of Bath, Claverton Down, Bath, BA2 7AY, England.
  • Croll, Dr Tristan Ian Research Fellow. Department of Haematology, Cambridge Institute for Medical Research, Wellcome Trust/MRC Building, Cambridgeshire, CB2 0XY, Cambridge, United Kingdom.
  • Cross, Dr Wendy Isabel Strategic Technologies, GlaxoSmithKline, Gunnels Wood Road, Hertfordshire, SG1 2NY, Stevenage, United Kingdom.
  • Cruickshank, Dr Dyanne Louise Applications Scientist. Rigaku Oxford Diffraction, Watery Lane, Kemsing, TN15 6QY, Sevenoaks, United Kingdom.
  • Cruz Migoni, Mr Abimael Postdoctoral Research Fellow. Weatherall Institute of Molecular Medicine (Terry Rabbitts’ lab), University of Oxford, -, OX3 9DS, Oxford, United Kingdom.
  • Curry, Dr Stephen Reader. Biological Sciences, Imperial College, Blackett Lab, Prince Consort Road, SW7 2BW, London, United Kingdom.
  • Dacombe, Michael H. Executive Secretary IUCr 1993-2017. International Union of Crystallography, 2 Abbey Square, CH1 2HU, Chester, United Kingdom.
  • Dalgarno, Dr Scott Lecturer. Chemistry, School of EPS, Heriot-Watt University, Riccarton Campus, EH14 4AS, Edinburgh, United Kingdom.
  • Danson, Miss Amy PhD researcher. School of Biological Sciences, University of Reading, Whiteknights, RG6 6UR, Reading, United Kingdom.
  • Darlington, Dr Charles Nicholas Wright Senior Lecturer, retired. University of Birmingham, School of Physics and Astronomy, B15 2TT, Birmingham, United Kingdom.
  • da Silva, Dr Ivan Instrument Scientist. ISIS, STFC, Rutherford Appleton Laboratory, OX11 0QX, Didcot, United Kingdom.
  • Daurer, Dr Benedikt Jakob Data Analysis Scientist - Ptychography. Diamond Light Source Ltd, Harwell Science and Innovation Campus, Oxfordshire, OX11 0DE, Didcot, United Kingdom.
  • David, Professor William I. F. Professor. ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon., OX11 0QX, UK.
  • Davies, Professor Gideon Professor of Biological Chemistry. Professor Gideon Davies, FMedSci, FRS, York Structural Biology Laboratory, Department of Chemistry, University of York, YO10 5DD, United Kingdom.
  • Davies, Dr John Edward Technical Officer. University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, England.
  • Dawson, Dr Alice Post Doc. Biological Chemistry and Molecular Biology, University of Dundee, Dow Street, DD1 5EH, Dundee, United Kingdom.
  • Day, Dr Graeme M. Royal Society University Research Fellow and Reader. Chemistry, University of Southampton, Highfield, SO17 1BJ, Southampton, United Kingdom.
  • Day, Mr Martin Postgraduate Researcher. School of Cancer Sciences, University of Birmingham, Edgbaston, West Midlands, B29 7RG, Birmingham, United Kingdom.
  • Degtyareva, Dr Olga Research Fellow. Productivity for Scientists, -, EH9 3JZ, Edinburgh, United Kingdom.
  • De Matos, Dr Luciana Research associate. Chemical &Process Engineering, University of Sheffield, Mappin St, South Yorkshire, S755RQ, Sheffield, United Kingdom.
  • Dempsey, Ms Eliza Kate PhD Student. School of Chemistry, University of Edinburgh, West Mains Road, EH9 3JW, Edinburgh, United Kingdom.
  • Dennis, Dr Caitriona Post-Doc. Astbury Centre for Structural Molecular Biology, University of Leeds, Mount Preston Street, LS2 9JT, Leeds, United Kingdom.
  • Dent Glasser, Dr Lesley Scott Director SATRO North Scotland, retired. Marischal College, University of Aberdeen, -, AB9 1AS, Aberdeen, United Kingdom.
  • Diamond, Dr Robert Retired. 1 Elms Avenue, Great Shelford, CB22 5LN, Cambridge, United Kingdom.
  • Dias, Dr João Miguel Senior Scientist. Sosei-Heptares, Steinmetz Building, Granta Park, CB21 6DG, Cambridge, United Kingdom.
  • Diaz-Moreno, Dr Sofia Science Group Leader. Science Division, Diamond Light Source, Harwell Science and Innovation Campus, OX11 0DE, Chilton, United Kingdom.
  • Dodd, Dr Roger B. Protein scientist. MedImmune, -, CB21 6GH, Cambridge, United Kingdom.
  • Dodson, Professor Eleanor Professor Emeritus. Department of Chemistry, University of York, Heslington, York, YO1 5DD, England.
  • Dokurno, Dr Pawel Principal Scientist. Vernalis (R&D) Ltd, Granta Park, CB21 6GB, Cambridge, United Kingdom.
  • Dorfmueller, Dr Helge Postdoctoral Research Fellow. Molecular Microbiology, University of Dundee, Dow Street, Tayside, DD1 5EH, Dundee, United Kingdom.
  • Drew, Professor Michael G. B. Professor Emeritus. Department of Chemistry, The University, Whiteknights, Reading, RG6 2AD, England.
  • Duhlev, Dr Rumen Scientific Editor. Elsevier Ltd., The Boulevard, Langford Lane, Kidlington, Oxford OX5 1GB.
  • Dunn, Dr Cameron R. Research Officer. University of Bristol, Department of Biochemistry, School of Medical Sciences, University Walk, Bristol, BS8 1TD, England.
  • Dunstan, Mr Matthew Postdoctoral Research Associate. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridgeshire, CB21EW, Cambridge, United Kingdom.
  • Dyson, David John Consultant, retired. Microanalytica, 'Ellersly', 67, Renishaw Avenue, Rotherham, South Yorkshire, S60 3LF, UK.
  • Edgeley, Mr David PhD Student. School of Pharmacy, University of Reading, Whiteknights Campus, Berkshire, RG6 6AD, Reading, United Kingdom.
  • Edler, Professor Karen Professor of Materials. Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, United Kingdom.
  • Elliott, Professor James Cornelis Professor Emeritus of Biophysics. Oral Growth & Dev (Dental Biophysics), Queen Mary, University of London, Mile End Road, UK, E1 4NS, London, United Kingdom.
  • El Omari, Dr Kamel Beamline Scientist. Life science, Diamond Light Source, Fermi Avenue, OX11 0DE, Didcot, United Kingdom.
  • Elsegood, Dr Mark Robert James Senior Lecturer. Chemistry Department, Loughborough University, Loughborough, Leics., LE11 3TU, England.
  • Eno, Miss Rebecca PhD Student. GlaxoSmithKline, -, -, -, United Kingdom.
  • Errington, Dr William Lecturer, retired. Department of Chemistry, University of Warwick, Coventry, CV4 7AL, England.
  • Evans, Dr Gwyndaf Deputy Director for Life Science. Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom.
  • Evans, Dr Ivana Radosavljevic Senior Lecturer (Associate Professor) in Chemistry. Department of Chemistry, Durham University, Science Site, DH1 3LE, Durham, United Kingdom.
  • Evans, Dr Philip Richard Scientific Staff. MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge, CB2 2QH, England.
  • Fabian, Dr Laszlo lecturer. School of Pharmacy, University of East Anglia, Earlham Road, NR4 7TJ, Norwich, United Kingdom.
  • Fabiane, Dr Stella Maris Research Associate / Statistician. University College London, -, -, -, London, United Kingdom.
  • Fairclough, Dr John Patrick Anthony University Lecturer. Dr P. Fairclough, Dept of Chemistry, University Of Sheffield, Sheffield, S3 7HF, UK.
  • Fang, Dr Changming Researcher. Brunel University London, -, -, -, London, United Kingdom.
  • Farooq, Mr Danial PhD. Rutherford Appleton Laboratory, OX11 0FA, Didcot, United Kingdom.
  • Farrugia, Dr Louis John Senior Lecturer. Chemistry, University of Glasgow, University Avenue, Lanarkshire, G12 8QQ, Glasgow, United Kingdom.
  • Faruqi, Dr Abdul Research Scientist. Dr.A.R.Faruqi, MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 2QH, UK.
  • Fawcett, Dr John Senior Experimental Officer, retired. Department of Chemistry, Leicester University, University Road, Leicester, LE1 7RH, England.
  • Ferguson, Professor George Honorary Professor, University of St. Andrews: University Professor Emeritus, University of Guelph. School of Chemistry, Purdie Building, University of St. Andrews, St. Andrews, Fife KY16 9ST, Scotland UK.
  • Ferguson, Dr Ian Forster Retired. 1 Ingle Head, Fulwood, PR2 3NR, Preston, United Kingdom.
  • Fernandez-Alonso, Professor Felix Visiting Professor. Physics and Astronomy, University College London, Gower Street, WC1, London, United Kingdom.
  • Fernández-Terán, Dr Ricardo Postdoctoral Fellow Researcher. Department of Chemistry, University of Sheffield, Dainton Building, Brook Hill, S3 7HF, Sheffield, United Kingdom.
  • Fewster, Dr Paul Retired. 68 Graham Avenue, East Sussex, BN1 8HD, Brighton, United Kingdom.
  • Field, Jennifer Principal Scientific Editor, retired. Cambridge Crystallographica Data Centre, -, -, Cambridge, United Kingdom.
  • Findlay, Mr John Graham PhD Student. Department of Chemistry A5-22a, University of Glasgow, Joseph Black Building, G12 8QQ, Glasgow, United Kingdom.
  • Finney, Professor John Leslie Professor of Physics. Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, England.
  • Firth, Dr Robert Data Scientist. Hartree Centre, Science and Technology Facilities Council, Sci Tech Daresbury, Cheshire, WA4 4AD, Warrington, United Kingdom.
  • Flaig, Dr Ralf Senior Beamline Scientist. Life Sciences, Diamond Light Source, Harwell Science and Innovation Campus, OX11 0DE, Chilton, Didcot, United Kingdom.
  • Flensburg, Dr Claus Research and Development. Global Phasing Ltd., Sheraton House, Castle Park, CB1 1EL, Cambridge, United Kingdom.
  • Fletcher, Miss Rachel E. PhD researcher. Kathleen Lonsdale Building, UCL, Gower St, WC1E 6BT, London, United Kingdom.
  • Flowitt-Hill, Mr Giles Sales Manager. Oxford Instruments, Eastbury, -, Berkshire, United Kingdom.
  • Foadi, Dr James Lecturer. Mathematical Sciences, University of Bath, Claverton Down, BA2 7AY, Bath, United Kingdom.
  • Forsyth, Professor J. Bruce Honorary Research Associate. ISIS Diffraction Division, Rutherford Appleton Laboratory, Chilton, Oxon., OX11 0QX, England.
  • Fortes, Dr Dominic Instrument Scientist. ISIS neutron spallation source, Rutherford Appleton Laboratory, Harwell Science & Innovation Campus, Oxfordshire, OX11 0QX, Chilton, United Kingdom.
  • Fotinou, Dr Constantina Postdoctoral Research Assistant. Former address:, University of Oxford, -, -, Oxford, United Kingdom.
  • Frampton, Professor Christopher Stephen Academia/Industry research. Wolfson Centre for Materials Processing, Brunel University, Kingston Lane, Uxbridge, Middlesex, UB8 3PH, UK.
  • Franklyn, Dr Paul Principal Teaching Fellow. Faculty of Engineering, Department of Materials, Imperial College London, South Kensington Campus, -, London, United Kingdom.
  • Freemont, Professor Paul Simon Chair of Protein Crystallography. Macromolecular Structure and Function Research Group, Imperial College, Biochemistry Building, SW7 2AZ, London, United Kingdom.
  • Freer, Dr Andrew Honorary Senior Research Fellow. Department of Protein Crystallography, Chemistry Department, University of Glasgow, Glasgow, G12 8QQ, Scotland.
  • Freitag-Pohl, Dr Stefanie Research Fellow. Chemistry, Durham University, South Road, Durham, DH1 3LE, Durham, United Kingdom.
  • Froggatt, Dr Sarah Technical Editor. International Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England.
  • Fuller, Professor Watson Professor emeritu. Department of Physics, Keele University, Keele, Staffs., ST5 5BG, England.
  • Fulop, Professor Vilmos Professor in Structural Biology. University of Warwick, School of Life Sciences, Gibbet Hill Road, Coventry CV4 7AL, U.K.
  • Funnell, Dr Nicholas Instrument Scientist. ISIS Neutron and Muon Facility, Rutherford Appleton Laboratory, STFC, -, Oxfordshire, OX11 0QX, Didcot, United Kingdom.
  • Fütterer, Dr Klaus Lecturer. Klaus Fütterer, School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT, United Kingdom.
  • Gabrielsen, Dr Mads Research Technologist. Structural Biology and Biophysical Characterisation Facility, University of Glasgow, Joseph Black Building, G12 8QA, Glasgow, United Kingdom.
  • Gahloth, Dr Deepankar Research Associate. Faculty of Life Sciences, University of Manchester, Oxford Road, M139PT, Manchester, United Kingdom.
  • Gál, Dr Zoltán Head of Sales and Marketing. Quantum Detectors Ltd, Fermi Avenue, -, -, Didcot, United Kingdom.
  • Gallagher-Jones, Dr Marcus Senior Staff Scientist. Correlated Imaging, Rosalind Franklin Institute, Harwell Campus, OX, OX11 0QX, Didcot, United Kingdom.
  • Garman, Professor Elspeth F. Professor of Molecular Biophysics and Senior Kurti Fellow, Brasenose College. Laboratory of Molecular Biophysics, Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, England.
  • Garnett, Dr James Senior Lecturer. Centre for Host-Microbiome Interactions, Kings College London, -, -, London, United Kingdom.
  • Gati, Dr Cornelius Postdoctoral Fellow. Laboratory of Molecular Biology, MRC, Francis Crick Avenue, CB2 OQH, Cambridge, United Kingdom.
  • Genge, Dr Anthony Technical Support Group Leader. Perkin ElmerLAS, -, -, -, United Kingdom.
  • Gerstel, Mr Markus Postgraduate Student. Department of Biochemistry, University of Oxford, South Parks Road, OX1 3QU, Oxford, United Kingdom.
  • Gibbons, Dr Paul Senior Software Engineer. Science Dept, Diamond Light Source, Diamond House, Harwell Science and Innovation Campus, Oxon, OX11 0DE, Didcot, United Kingdom.
  • Gibbs, Dr Alexandra S. Faculty. School of Chemistry, University of St Andrews, North Haugh, Fife, KY16 9SA, St Andrews, United Kingdom.
  • Gibson, Mr Paul System Developer. RandD IUCr 5 Abbey Square.
  • Gildea, Mr Richard James Computational Biologist Postdoctoral Fellow. Diamond Light Source, Harwell Science & Innovation Campus, Oxon, OX11 0DE, Didcot, United Kingdom.
  • Gilmore, Professor Christopher Professor of Crystallography. Department of Chemistry, University of Glasgow, Glasgow, G12 8QQ, Scotland.
  • Glasser, Professor Fredrik Paul Professor. Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen, AB24 3UE, Scotland.
  • Glazer, Professor Anthony Michael Professor of Physics. Physics Department, Clarendon Laboratory, University of Oxford, Parks Road, Oxford, OX1 3PU, England.
  • Glazer, Richard Lawrence Managing Director. Oxford Cryosystems, 3 Blenheim Office Park, Lower Road, Long Hanborough, Oxford OX29 8LN, England.
  • Glidewell, Christopher Honorary Professor. School of Chemistry, University of St Andrews, North Haugh, KY16 9ST, St Andrews, United Kingdom.
  • Goertz, Miss Verena Lecturer. Chemistry, Lancaster University, -, LA1 4YB, Lancaster, United Kingdom.
  • Goldman, Professor Adrian Professor. Adrian Goldman, Astbury Centre for Structural Molecular Biology, Department of Biomedical Sciences, Faculty of Biological Sciences, University of Leeds, Leeds LS2 9JT.
  • Goodwin, Professor Andrew Professor of Materials Chemistry. Department of Chemistry, University of Oxford, South Parks Road, OX1 3QR, Oxford, United Kingdom.
  • Gorrec, Dr Fabrice Crystallization facility manager. Fabrice Gorrec, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH (UK).
  • Gould, Dr Robert Ozburn Honorary Fellow. ICMB, Swann Building, The University of Edinburgh, Edinburgh, EH9 3JR, Scotland.
  • Gould, Dr Sheila E. B. Director BMMU. Beevers Miniature Models Unit, Department of Chemistry, The University of Edinburgh, West Mains Road, Edinburgh, EH9 3JJ, Scotland.
  • Gover, Dr Sheila retired. Laboratory of Molecular Biophysics, Rex Richards Building, University of Oxford, South Parks Road, OX1 3QU, Oxford, United Kingdom.
  • Gowdy, Mr James Student. Faculty of Biological Sciences, University of Leeds, LS2 9JT, Leeds, United Kingdom.
  • Greenhough, Dr Trevor J. Reader. School of Life Sciences, Keele University, Keele, Staffs., ST5 5BG, England.
  • Greenwood, Miss Charlene PhD Researcher. Cranfield Forensic Institute, Cranfield University, Stephenson Labs, Wiltshire, SN6 8LA, Shrivenham, United Kingdom.
  • Griffin, Miss Lucy Rachael PhD Research Student. BP Institute, Madingley Road, Cambridgeshire, CB3 0EZ, Cambridge, United Kingdom.
  • Grimes, Dr Jonathan Academic. University Research Lecturer, Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford OX3 7BN, UK.
  • Grøftehauge, Dr Morten Keller Post doc. Department of Chemistry, Durham University, South Road, Durham, DH1 3LE, United Kingdom.
  • Groom, Dr Colin Executive Director. Cambridge Crystallographic Data Centre, 12 Union Road, CB2 1EZ, Cambridge, United Kingdom.
  • Gutmann, Dr Matthias Beamline scientist. ISIS Facility, Oxfordshire, OX11 0QX, Chilton Didcot, United Kingdom.
  • Habash, Dr Jarjis Scientist. Department of Chemistry, University of Manchester, Oxford Road, M13 9PL, Manchester, United Kingdom.
  • Haigh, Dr Sarah J. Academic. School of Materials, University of Manchester, Grosvenor Street, M139PL, Manchester, United Kingdom.
  • Halfpenny, Dr Joan Christine retired. Previously at Nottingham Trent University, -, -, -, United Kingdom.
  • Hall, Mr James Pearce PDRA. Department of Chemistry, University of Reading, Whiteknights, Berkshire, RG6 6AD, Reading, United Kingdom.
  • Hall, Mr Reece Postgraduate Student. School of Forensic and Investigative Science, University of Central Lancashire, Flyde Road, Lancashire, PR1 2HE, Preston, United Kingdom.
  • Halsted, Mr Thomas PhD Student. Molecular Biophysics Group, University of Liverpool, Crown Street, L69 7ZB, Liverpool, United Kingdom.
  • Hamley, Professor Ian Professor. Chemistry, University of Reading, Whiteknights, RG6 1EU, Reading, United Kingdom.
  • Hamor, Dr Thomas Andrew Retired. 11 Whinfell Court, S11 9QA, Sheffield, United Kingdom.
  • Hansford, Dr Graeme Research Scientist. Space Research Centre, Dept of Physics and Astronomy, University of Leicester, University Road, LE1 7RH, Leicester, United Kingdom.
  • Hardie, Dr Michaele Reader. Chemistry, University of Leeds, Woodhouse Lane, LS2 9JT, Leeds, United Kingdom.
  • Harding, Dr Marjorie M. Honorary Fellow. Institute of Cell and Molecular Biology, University of Edinburgh, Michael Swann Building, Mayfield Road, EH9 3JR, Edinburgh, United Kingdom.
  • Hardy, Dr Andrew David retired. Exeter University, -, -, United Kingdom.
  • hargreaves, Dr david industrial scientist. Dr David Hargreaves., Office R1-09, AstraZeneca Darwin Building, Unit 310, Cambridge Science Park, Milton Road, Cambridge, CB4 0WG.
  • Harkiolaki, Dr Maria Principal beamline scientist. Life Sciences, Diamond Light Source, RAL, OX110DE, Didcot, United Kingdom.
  • Harmer, Dr Nicholas Academic. School of Biosciences, University of Exeter, Geoffrey Pope Building, Stocker Road, EX4 4QD, Exeter, United Kingdom.
  • Harrington, Dr Ross William X-ray crystallography Officer. School of Chemistry, Newcastle University, King's Road, NE1 7RU, Newcastle upon Tyne, United Kingdom.
  • Harris, Professor Kenneth David Maclean Professor. School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT, United Kingdom.
  • Harris, Professor Robin Emeritus Professor. Chemistry Department, Durham University, Stockton Road, DH1 3LE, Durham, United Kingdom.
  • Harris, Steven Gordon Lubricant Formulator. Dr Steven G. Harris, Infineum UK Limited, PO Box 1, Abingdon, Oxfordshire OX13 6BB, UK.
  • Harrison, Professor Andrew CEO. Diamond Light Source, Diamond House, Harwell Science and Innovation Campus, Oxfordshire, OX11 0DE, Didcot, United Kingdom.
  • Harrison, Dr William T. A. Senior lecturer in chemistry. Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland.
  • Harrus, Dr Deborah Scientific Data Curator - PDBe/EMDB. European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus Hinxton, CB10 1SD, Cambridge, United Kingdom.
  • Hart, Professor Michael Visiting Professor at Bristol, Emeritus Professor at Manchester. Department of Physics, University of Bristol, Bristol, United Kingdom.
  • Hartley, Dr David Emeritus Fellow. Clare College, Cambridge, England.
  • Hasnain, Professor Samar Max Perutz Professor of Molecular Biophysics & International Lead for the Faculty of Health & Life Sciences. Institute of Integrative Biology, University of Liverpool, Life Sciences Building, Crown Street, Liverpool L69 7ZB, Merseyside, UK.
  • Hatcher, Dr Lauren Elizabeth Research Fellow. School of Chemistry, University of Cardiff, Park Place, CF10 3AT, Cardiff, United Kingdom.
  • Hatti, Dr Kaushik AI Scientist. DrugDiscovery@Dundee, -, -, Dundee, United Kingdom.
  • Haworth, Dr Colin W. Honorary Lecturer (Retired). Department of Engineering Materials, Sheffield University, Sir Robert Hadfield Building, PO Box 600, S1 4DU, England.
  • Heasman, Mr Patrick Academic Account Manager. Schrodinger, -, -, Leicester, United Kingdom.
  • Hector, Professor Andrew Academic. Chemistry, University of Southampton, Highfield, SO17 1BJ, Southampton, United Kingdom.
  • Heenan, Dr Richard SANS scientist, STFC ISIS Facility. ISIS Facilty, STFC Rutherford Appleton Laboratory, 1-22 Building R3, OX11 0QX, Didcot, United Kingdom.
  • Helliwell, Professor John Richard Emeritus Professor of Structural Chemistry. Department of Chemistry, The University of Manchester, Brunswick Street, M13 9PL, Manchester, United Kingdom.
  • Helliwell, Dr Madeleine Senior Research Fellow and Hon Senior Lecturer, retired. Chemistry, University of Manchester, Brunswick Street, M13 9PL, Manchester, United Kingdom.
  • Henderson, Professor C.M.B. Professor of Petrology. Department of Geology, University of Manchester, Manchester, M13 9PL, England.
  • Henderson, Dr Richard Research Scientist. MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH, England.
  • Henry, Dr Paul Francis Senior Scientist. Neutron Powder Diffraction, Rutherford Appleton Laboratory, STFC, Harwell Science & Innovation Campus, OX11 0DE, Didcot, United Kingdom.
  • Hill, Dr Andrea P. Technical Editor. International Union of Crystallography, 5 Abbey Square, Chester, CH1 2HU, England.
  • Hill, Dr Chris Principal Investigator & Lecturer. Biology, University of York, Wentworth Way, Yorkshire, YO1 5DD, York, United Kingdom.
  • Hill, Mr Joshua A. Conservator and scientist. -, -, London, United Kingdom.
  • Hillman, Dr Michael Mechanical Project Engineer. Technical, Diamond Light Source, Harwell Science & Innovation Campus, OX11 0DE, Didcot, United Kingdom.
  • Hofmann, Professor Felix Professor. Engineering Science, University of Oxford, Parks Road, OX1 3PJ, Oxford, United Kingdom.
  • Holden, Dr David Systems Developer. International Union of Crystallography, 5 Abbey Square, Chester, Cheshire, CH1 2HU, England.
  • Holmes, Dr Gillian F. Managing Editor. International Union of Crystallography, 5 Abbey Square, Chester, CH1 2HU, England.
  • Hon, Dr Wai-Ching PNAC, MRC Laboratory of Molecular Biology, Hills Road, CB2 2QH, Cambridge, United Kingdom.
  • Horton, Dr Peter PDRA EPSRC National Crystallography Service. School of Chemistry, University of Southampton, Highfield, SO17 1BJ, Southampton, United Kingdom.
  • Hough, Dr Michael Senior Lecturer. School of Life Sciences, University of Essex, Wivenhoe Park, Essex, CO4 3SQ, Colchester, United Kingdom.
  • Howard, Professor Judith Ann Kathleen Professor of Structural Chemistry. Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, England.
  • Howes, Dr Paul Lecturer. Physics and Astronomy, University of Leicester, University Road, LE1 7RH, Leicester, United Kingdom.
  • Howie, Dr R. Alan Senior Research Officer (Retired). University of Aberdeen, -, -, -, United Kingdom.
  • Howie, Mr Ross PhD Student. Centre for Science at Extreme Conditions, University of Edinburgh, Mayfield Road, EH9 3JZ, Edinburgh, United Kingdom.
  • Howlin, Dr Brendan Senior Lecturer. Chemistry Division, FHMS, University of Surrey, Guildford, Surrey, GU2 7XH, England.
  • Hoyland, Dr Michael A. Systems Developer. R & D, International Union of Crystallography, 5 Abbey Square, CH1 2HU, Chester, United Kingdom.
  • Hriljac, Dr Joseph Senior Lecturer. Diamond Light Source (United Kingdom), -, -, -, Didcot, United Kingdom.
  • Huang, Dr Lin Postdoctoral Research Assistant. CR-UK Nucleic Acid Structure Research Group, University of Dundee, MSI/WTB complex, University of Dundee, Dow St., DD1 5EH, Dundee, United Kingdom.
  • Huband, Dr Steven Research Fellow. Department of Physics, University of Warwick, Gibbet Hill Road, West Midlands, CV4 7AL, Coventry, United Kingdom.
  • Hughes, Dr David Lewis Chemical crystallographer. School of Chemical Sciences and Pharmacy, University of East Anglia, University Plain, Norwich, NR4 7TJ, United Kingdom.
  • Hughes, Dr David S. Visiting Researcher. Dr David Hughes, Visiting Researcher (Bill Jones Group), Chemistry Department, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW.
  • Hukins, Professor David retired. Mechanical Engineering, The University of Birmingham, Edgbaston, Birmingham, B15 2TT, United Kingdom.
  • Hull, Dr Stephen Senior Scientific Officer. ISIS Science Division, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon., OX11 0QX, England.
  • Hunter, Professor William N. Professor of Structural Biology. College of Life Sciences, MSI/WTB, University of Dundee, Dow St, Dundee, DD1 5EH, UK.
  • Hursthouse, Professor Michael Professor of Structural Chemistry. Professor Mike Hursthouse, School of Chemistry, University of Southampton, Southampton, SO52 9HY.
  • Hutchings, Professor Michael Thomas Visiting Research Professor. Materials Engineering Department, Oxford Research Unit, The Open University, Foxcombe Hall, Boars Hill, Oxford, OX1 5HR, UK.
  • Hyde, Dr Timothy Ian Principal Scientist. Dr T.I. Hyde, Johnson Matthey Technology Centre, Blounts Court, Sonning Common, Reading, Berks, RG4 9NH.
  • Ibrahim, Miss Siti Fatimah PhD student. Institute of particle science and engineering, University of leeds, -, ls2 9jt, Leeds, United Kingdom.
  • Idini, Miss Ilaria PhD student. DynamX Medical, Rutherford Appleton Laboratories, Harwell Campus, -, Didcot, United Kingdom.
  • Ilangovan, Dr Aravindan Post Doctoral Fellow. Biological Sciences, Birkbeck College, Malet street, WC1E 7HX, London, United Kingdom.
  • Isaacs, Professor Neil William Professor. Department of Chemistry, University of Glasgow, Glasgow, G12 8QQ, Scotland.
  • Isupov, Dr Michail N. Senior research fellow. College of Life and Environmental Sciences, University of Exeter, Stocker Road, EX4 4QD, Exeter, United Kingdom.
  • Ivanova, Dr Marina E. Software Developer. Paddy Power Betfair, -, -, London, United Kingdom.
  • Jackson, Dr Robert A. Reader in Computational Solid State Chemistry. Lennard-Jones Laboratories, School of Physical and Geographical Sciences, Keele University, Keele, Staffs. ST5 5BG, UK.
  • Jain, Dr Vitul Postdoctoral research scientist. Division of Structural Biology, The Wellcome Trust Centre for Human Genetics, Roosevelt drive, OX3 7BN, Oxford, United Kingdom.
  • Janes, Dr Robert William Senior Lecturer. School of Biological & Chemical Sciences, Queen Mary, University of London, Mile End Road, E1 4NS, London, United Kingdom.
  • Jeffreys, Dr John A. D. Honorary Senior Lecturer, retired. Department of Pure and Applied Chemistry, University of Strathclyde, -, G1 1XL, Glasgow, United Kingdom.
  • Jeyaprakash, Dr Arockia Arulanandam Researcher. Cell Biology, Wellcome Trust Centre for Cell Biology, -, -, Edinburgh, United Kingdom.
  • Jhoti, Dr Harren Research Scientist. Glaxo Research and Development Ltd, Biomolecular Structure Department, Greenford Road, Greenford, Middlesex, UB6 0HE, England.
  • Jimenez-Melero, Dr Enrique Lecturer - Radiation Material Science. University of Manchester, Westlakes Science and Technology Park, M13 9PL, DALTON CUMBRIAN FACILITY, United Kingdom.
  • Johnson, Dr Michael William Director of Instrumentation, retired 2007. Rutherford Appleton Laboratory, -, OX11 0QX, Didcot, United Kingdom.
  • Johnson, Ms Natalie T. Student. -, Cambridge Crystallographic Data Centre, 12 Union Road, -, CB2 1EZ, Cambridge, United Kingdom.
  • Johnson, Dr Owen Computer Officer. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridgeshire, CB2 1EW, Cambridge, United Kingdom.
  • Johnson, Dr Roger Lecturer. Physics and Astronomy, University College London, Gower Street, WC1E 6BT, London, United Kingdom.
  • Johnstone, Mr Duncan PhD Student. Peterhouse, CB2 1RD, Cambridge, United Kingdom.
  • Johnstone, Mr Russell Douglas Lister Chemistry, University of Edinburgh, West Mains Road, Midlothian, EH9 3JJ, Edinburgh, United Kingdom.
  • Jones, Miss Charlotte Louise Postgraduate Student (PhD). Department of Chemistry, University of Bath, Claverton Down, BA2 7AY, Bath, United Kingdom.
  • Jones, Professor Edith Yvonne Royal Society University Research Fellow. Division of Structural Biology, The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Headington, OX3 7BN, Oxford, United Kingdom.
  • Jones, Louise Elizabeth Managing Editor. International Union of Crystallography, 5 Abbey Square, Chester, CH1 2HU, England.
  • Jones, Dr Richard Hywel Lecturer. School of Chemistry and Physics, Lennard-Jones Laboratories, University of Keele, Keele, Staffs., ST5 5BG, England.
  • Jones, Dr William University Lecturer. Chemistry Department, Cambridge University, Lensfield Road, Cambridge, CB2 1EW, England.
  • Kariuki, Dr Benson M. Snr Lecturer. School of Chemistry, Cardiff University, Main Building, Park Place, CF10 3AT, Cardiff, United Kingdom.
  • Keeble, Dr Dean Samuel Support Scientist. Diamond Light Source, Harwell Science & Innovation Campus, OX11 0DE, Didcot, United Kingdom.
  • Keen, Professor David Anthony Staff Scientist. Building R3, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxfordshire, OX11 0QX, U.K.
  • Keenan, Mr Luke Support Scientist. Diamond Light Source Ltd, Fermi Avenue, OX11 0DE, Didcot, United Kingdom.
  • Keller, Peter A. Software developer. Global Phasing Limited, Sheraton House, Castle Park, CB3 0AX, Cambridge, United Kingdom.
  • Kennedy, Dr Alan R. Reader. Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland.
  • Kidd, Dr Patricia Science Communicator. PANalytical, -, -, Brighton, United Kingdom.
  • King, Dr Stephen Neutron Instrument Scientist (SANS). ISIS Pulsed Neutron and Muon Source, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Oxfordshire, OX11 0QX, Didcot, United Kingdom.
  • Kirk, Dr Caroline A. Lecturer in Materials Chemistry. School of Chemistry, Joseph Black Building, University of Edinburgh, David Brewster Rd, EH9 3FJ, Edinburgh, United Kingdom.
  • Klapwijk, Miss Anneke PhD Student. Department of Chemistry, University of Bath, Claverton Down, BA2 7AY, Bath, United Kingdom.
  • Kleywegt, Professor Gerard J. Senior Team Leader/Professor. EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK.
  • Klos, Mr Bart Self Employed. Bart Klos.
  • Knight, Dr James Christopher Lecturer. School of Natural and Environmental Sciences, Newcastle University, -, NE1 7RU, Newcastle upon Tyne, United Kingdom.
  • Knight, Dr Kevin Steven Instrument Scientist. Materials Science and Engineering, University of Sheffield, -, -, Sheffield, United Kingdom.
  • Kociok-Kohn, Dr Gabriele Ingrid X-Ray Officer. Chemistry, University of Bath, Claverton Down, England, BA2 2AZ, Bath, United Kingdom.
  • Kockelmann, Dr Winfried beamline scientist. ISIS Facility, STFC Rutherford Appleton Laboratory, Fermi Avenue, Chilton, OX11 0qx, Chilton, United Kingdom.
  • Köllges, Mr Till Christopher PhD student. School of Chemical Engineering and Analytical Science, The University of Manchester, Sackville Street/ The Mill D37, M13 9PL, Manchester, United Kingdom.
  • Kopec, Dr Jolanta Senior scientist. Evotec, -, -, Oxford, United Kingdom.
  • Körber, Dr Fritjof Carl Friedrich Senior Lecturer, retired 2015. University of the West of England, -, -, Bristol, United Kingdom.
  • Korsunsky, Professor Alexander M Professor of Engineering Science. Engineering Science, University of Oxford, Parks Road, OX1 3PJ, Oxford, United Kingdom.
  • Kovalevskiy, Dr Oleg Investigator Scientist. CCP4 core team, Scientific Computing department, STFC RAL, Harwell campus, OX11 0QX, Didcot, United Kingdom.
  • Kydd-Sinclair, Miss Dannielle Doctoral Researcher. School of Biological Sciences, University of Reading, Harborne Building, Whiteknights Campus, Berkshire, RG6 6AS, Reading, United Kingdom.
  • Lake, Mr Philip G. retired. Physical Properties & Developability, GlaxoSmithKline, Old Powder Mills, Kent, TN11 9AN, Leigh, Nr Tonbridge, United Kingdom.
  • Lapthorn, Dr Adrian J. University Lecturer. Department of Chemistry, Protein Crystallography, University of Glasgow, University Avenue, G12 8QQ, Glasgow, United Kingdom.
  • Law, Dr Christopher Lecturer. School of Biological Sciences, Queen's University, 97 Lisburn Road, Northern Ireland, BT9 7BL, Belfast, United Kingdom.
  • Lawson, Dr David Mark Research Scientist. Biological Chemistry, John Innes Centre, Colney Lane, Norfolk, NR4 7UH, Norwich, United Kingdom.
  • Lea, Professor Susan M Professor of Chemical Pathology. Sir William Dunn School of Pathology, University of Oxford, South Parks Road, OXon, OX1 3RE, Oxford, United Kingdom.
  • Leadbetter, Dr Alan Retired. 23 Hillcrest Park, Exeter, EX4 4SH.
  • Leake, Dr John Anthony College Fellow. St John's College, Cambridge, CB2 1TP.
  • Leary, Mr Rowan PhD student. Rowan Leary, Department of Materials Science & Metallurgy, 27 Charles Babbage Road, Cambridge, CB3 0FS.
  • Lee, Ms Rachael Scientist. Johnson Matthey, -, -, Cambridge, United Kingdom.
  • Leonardo Silvestre, Dr Hernani Senior Scientist. Apartment 130, 235 Earls Court Road, SW5 9FE, London, United Kingdom.
  • Leslie, Dr Andrew G. W. Staff Scientist. MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 2QH, England.
  • Leusen, Dr Frank J. J. Senior Scientist. Dr. Frank J.J. Leusen, Institute of Pharmaceutical Innovation, University of Bradford, Bradford, BD7 1DP, United Kingdom.
  • Levenstein, Mr Mark A. PhD Student. School of Mechanical Engineering, University of Leeds, Woodhouse Lane, LS2 9JT, Leeds, United Kingdom.
  • Lewis, Mr Sam George PhD Student. Chemistry, Cardiff University, Main Building, CF10 3AT, Cardiff, United Kingdom.
  • Leymarie, Professor Dr Frederic Professor of Arts Computing. Computing, Goldsmiths College, New Cross, SE14 6NW, London, United Kingdom.
  • Leys, Dr David lecturer. Biochemistry, University of Leicester, University Road, Leicestershire, LE1 7RH, Leicester, United Kingdom.
  • Li, Dr Jade Senior Scientist. Structural Studies, Medical Research Council Laboratory of Molecular Biology, Hills Road, CB2 0QH, Cambridge, United Kingdom.
  • Light, Dr Mark X-ray Diffraction Manager. Chemistry, University of Southampton, University road, Hampshire, SO16 9RA, Southampton, United Kingdom.
  • Lightfoot, Dr Matthew Scientific Editor. Cambridge Crystallographic Data Centre, 12 Union Road, CB21EZ, Cambs, United Kingdom.
  • Lightfoot, Professor Philip Retired. Lenton Avenue, L37 1XY, Formby, United Kingdom.
  • Lisgarten, Dr David Raymond Principal Research Fellow/Technician. Human and Life Science, Canterbury Christ Church University, North Holmes Road, Kent, CT1 1QU, Canterbury, United Kingdom.
  • Liu, Miss Jiaxun PhD student. Department of Physics and Astronomy, Queen Mary University of London, Room 220, G.O.Jones Building, 327 Mile End Road, E1 4NS, London, United Kingdom.
  • Llamas-Martinez, Mr Marco Antonio PhD student. University of Manchester, Oxford Road, M13 9PL, Manchester, United Kingdom.
  • Lloyd, Dr Gareth Owen Lecturer. School of Chemistry, University of Lincoln, Joseph Banks Building, Beevor Road, Lincolnshire, LN6 7DL, Lincoln, United Kingdom.
  • Long, Dr De-Liang Senior Research Fellow. Dr. D Long, School of Chemistry, University of Glasgow, Glasgow, G12 8QQ, UK.
  • Loveday, Dr John Senior Researcher. Department of Physics, The University of Edinburgh, Mayfield Road, Edinburgh, EH9 3JZ, Scotland.
  • Lovering, Dr Andrew Lecturer. Biosciences, University Birmingham, University Birmingham, West Midlands, B15 2TT, Birmingham, United Kingdom.
  • Low, Dr John Nicolson Honorary Research Fellow. Middle Cottage, Pickletillum, St Andrews, KY16 0BU, Scotland.
  • Low, Mr Kian Sing PhD student. Physics department, Cavendish Laboratory, J J Thomson Avenue, CB3 0HE, Cambridge, United Kingdom.
  • Lowe, Dr Elisabeth Post Doctoral Researcher. Institute of Cell and Molecular Biosciences, Newcastle University, Framlington Place, Tyne and Wear, NE2 4HH, Newcastle upon Tyne, United Kingdom.
  • Löwe, Dr Jan Structural Studies Division, MRC Laboratory of Molecular Biology, Hills Road, Cambs, CB2 0QH, Cambridge, United Kingdom.
  • Lynch, Dr Daniel Technical Director. Exilica Limited, The Technocentre, Puma Way, CV1 2TT, Coventry, United Kingdom.
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  • Smith, Dr Ronald I. Instrument Scientist. ISIS Pulsed Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell Campus, Oxfordshire, OX11 0QX, Didcot, United Kingdom.
  • Sowerby, Ms Kate Student. Durham University, Lower Mount Joy, DH1 3LE, Durham, United Kingdom.
  • Sparkes, Dr Hazel Anne Research Officer in Crystallography. Chemistry, University of Bristol, Department of Chemistry, BS81TS, Bristol, United Kingdom.
  • Srirambhatla, Dr Vijay Postdoctoral research associate. Dr. Vijay Srirambhatla, Postdoctoral Research Associate, CPOSS and CMAC, EPSRC CMAC Future Manufacturing Research Hub, University of Strathclyde, Technology and Innovation Centre, 99 George Street, Glasgow, G1 1RD, U.K.
  • Pugh, Dr Chloe Post-doc researcher. Infection Innovation Consortium (iiCON), 1 Daulby Street, L7 8XZ, Liverpool, United Kingdom.
  • Staddon, Mr Christopher Russell Senior Experimental Officer, retired. Physics and Astronomy, University of Nottingham, University Park, Nottinghamshire, NG2 7RD, Nottingham, United Kingdom.
  • Stanley, Dr Alexandra CEO, IUCr. IUCr, 5 Abbey Square, CH1 2HU, Chester, United Kingdom.
  • Steed, Professor Jonathan William Professor Chemistry. Department of Chemistry, Durham University, South Road, Durham, DH1 3LE, UK.
  • Steeds, Professor John W. Emeritus Professor of Physics,. University of Bristol, H. H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL, England.
  • Stein, Dr Penelope Wellcome Senior Clinical Research Fellow. Dr Penelope E. Stein, Department of Haematology, Division of Structural Medicine, University of Cambridge, Cambridge Institute for Medical Research, Wellcome Trust/MRC Building, Hills Road, Cambridge, CB2 2XY, UK.
  • Steiner, Dr Roberto Professor. Randall Division of Cell and Molecular Biophysics, King's College London, New Hunt's House - Guy's Campus, SE1 1UL, London, United Kingdom.
  • Steiner, Professor Roberto Professor of Biomolecular Structure. Randall Centre for Cell and Molecular Biophysics, King's College London, New Hunt's House - Guy's Campus, SE1 1UL, London, United Kingdom.
  • Stephenson, Dr Richard Unemployed. (Formerly) Chemistry, University of Southampton, Highfield, SO17 1BJ, Southampton, United Kingdom.
  • Stevens, Dr Joanna University Research Fellow. Chemical Engineering and Analytical Science, The Mill, The University of Manchester, Sackville Street, M13 9PL, Manchester, United Kingdom.
  • Stewart, Dr Andrew Facility Manager. Department of Chemistry, University College London, 20 Gordon Street, WC1H0AJ, London, United Kingdom.
  • Stowell, Dr James Postdoctoral scientist. Structural Studies Division, MRC Laboratory of Molecular Biology, Francis Crick Avenue, CB43BE, Cambridge, United Kingdom.
  • Strange, Dr Richard Lecturer. School of Biological Sciences, University of Essex, Wivenhoe Park, CO4 3SQ, Colchester, United Kingdom.
  • Strickland, Mr Peter R. Executive Managing Editor, IUCr Journals. Editoral Office, International Union of Crystallography, 5 Abbey Square, CH1 2HU, Chester, United Kingdom.
  • Strusevich, Mr Dmitry Mechanical Design Engineer. Silixa Ltd, -, -, Watford, United Kingdom.
  • Stuart, Professor David Ian MRC Research Professor. Structural Biology, Wellcome Trust Centre for Human Genetics, Roosevelt Drive, OX3 7BN, Oxford, United Kingdom.
  • Sugden, Dr Isaac Postdoctoral research associate. Chemical Engineering, South Kensington Campus, Exhibition road, SW7 2AZ, London, United Kingdom.
  • Sutton, Professor Brian J. Professor of Molecular Biophysics. The Randall Division of Cell & Molecular Biophysics, King's College London, New Hunt's House, Guy's Campus, London SE1 1UL, UK.
  • Swaminathan, Dr Ganesh Jawahar Senior Bioinformatics Project Manager. Illumina, Chesterford Research Park, CB10 1XL, Nr Saffron Walden, United Kingdom.
  • Talapatra, Mr Sandeep Kumar Post-Doc. Michael Swann Building, University of Edinburgh, Mayfield Road, EH9 3JR, Edinburgh, United Kingdom.
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  • Tanley, Mr SimonWilliam Maurice YSBL Research Technician. Biological Chemistry YSBL, University of York, Heslington, -, YO10 5DD, York, United Kingdom.
  • Tanner, Professor Brian Keith Professor of Physics and Dean of Knowledge Transfer. Department of Physics, Durham University, South Road, Durham, DH1 3LE, U.K.
  • Taylor, Dr Diana Researcher. Woodstock Road, OX2 6HW, Oxford, United Kingdom.
  • Taylor, Mr Mark Student. Cell and Molecular Sciences, James Hutton Institute, -, -, -, Dundee, United Kingdom.
  • Taylor, Dr Paul Lecturer. Inst. of Cell and Molecular Biology, University of Edinburgh, King's Buildings, Mayfield Road, EH9 3JR, Edinburgh, United Kingdom.
  • Taylor, Dr Robin Emeritus Research Fellow. 54 Sherfield Avenue, WD31NL, Rickmansworth, United Kingdom.
  • Terrill, Professor Nick Principal Beamline Scientist. Diamond House, Diamond Light Source, Diamond House, Oxfordshire, OX11 0DE, Didcot, United Kingdom.
  • Tews, Dr Ivo Lecturer. Centre for Biological Sciences, University of Southampton, Institute for Life Sciences (IfLS) B85, Hants, SO17 1BJ, Southampton, United Kingdom.
  • Thiem, Dr Stefanie Data Scientist. Yelp, -, -, Oxford, United Kingdom.
  • Thiyagarajan, Dr Nethaji Research Associate. Structural & Molecular Biology, UCL, Gower Street, WC1E 6BT, London, United Kingdom.
  • Thomas, Dr Lynne Research Fellow. Chemistry, University of Bath, Claverton Down, BA2 7AY, Bath, United Kingdom.
  • Thomas, Dr Pamela Anne Reader in Physics. Department of Physics, University of Warwick, Coventry, CV4 7AL, England.
  • Thompson, Dr Amber L. Researcher. Chemical Crystallography, Chemistry Research Laboratory, Mansfield Road, OX1 3TA, Oxford, United Kingdom.
  • Thompson, Dr Darren postdoc. Department of Biochemistry, University of Southampton, Southampton, England.
  • Thompson, Mr Hugh Patrick George PhD Student. Chemistry, University of Cambridge, Lensfield Road, Cambridgeshire, CB2 1EW, Cambridge, United Kingdom.
  • Thompson, Dr Rebecca Senior cryo-Electron Microscopy Support Scientist/Facility manager. Astbury Biostructure Laboratory, University of Leeds, LS2 9JT, Leeds, United Kingdom.
  • Thornton, Professor Janet M. Director, EMBL-EBI. EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge SB10 1SD, UK.
  • Tickle, Dr Ian James Research Scientist - retired. X-ray Technology, Astex Pharmaceuticals, 436 Science Park, Milton Road, CB4 0QA, Cambridge, United Kingdom.
  • Tidey, Mr Jeremiah Philip Postgraduate researcher. The School of Chemistry, The University of Nottingham, University Park, NG7 2RD, Nottingham, United Kingdom.
  • Tizzard, Dr Graham John Post Doctoral Research Assistant. EPSRC National Crystallography Service, School of Chemistry, University of Southampton, University Road, SO17 1BJ, Southampton, United Kingdom.
  • Tocher, Dr Derek A. Reader, retired. Christopher Ingold Laboratories, Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, England.
  • Traore, Dr Daouda Lecturer. Faculty of Natural Sciences, Keele University, Staffordshire, ST5 5BG, Keele, United Kingdom.
  • Tremayne, Dr Maryjane Research Fellow/Lecturer. School of Chemical Sciences, University of Birmingham, Edgbaston, B15 2TT, Birmingham, United Kingdom.
  • Trincao, Dr Jose Senior Beamline Scientist. Dr. Jose Trincao, Diamond Light Source, Harwell Campus, DR1.64, Didcot, Oxfordshire, OX11 0DE, UK.
  • Tucker, Dr Ian Malcolm Research Scientist, retired October 2019. Homecare, Unilever Research, Port Sunlight Laboratory, Quarry Road East, Wirral, CH63 3JW, Bebington, United Kingdom.
  • Tucker, Dr Julie Ann Protein Crystallographer. CPSS UK, AstraZeneca, Mereside, Cheshire, SK10 4TG, Alderley Park, Macclesfield, United Kingdom.
  • Turkenburg, Dr Johan X-ray facilities manager. Chemistry, University of York, Heslington, YO10 5DD, York, United Kingdom.
  • Turkenburg, Dr Maria Postdoctoral Research Fellow. York Structural Biology Laboratory, Department of Chemistry, University of York, Heslington, York YO10 5DD, United Kingdom.
  • Tzalenchuk, Dr Alexander Ya. Researcher. Quantum Detection Group, National Physical Laboratory, Hampton Road, TW11 0LW, Teddington, United Kingdom.
  • Van Aken, Dr Bas Bernardus Research Associate. Materials Science and Metallurgy, Cambridge University, Pembroke Street, CB2 3QZ, Cambridge, United Kingdom.
  • van der Laan, Professor Dr Gerrit Physicist. Diamond Light Source, Chilton, Didcot OX11 0DE, UK.
  • Vangala, Dr Venu Gopal Rao Assistant professor in Medicines Development and Pharmaceutical Science. Dr Venu Vangala, 3.16 Norcroft Building, University of Bradford, Richmond Road, Bradford BD7 1DP, UK.
  • V Chandran, Dr Anu Researcher. Department of Biochemistry, University of Oxford, South Parks Road, OX1 3QU, Oxford, United Kingdom.
  • Vickers, Mr Martin Senior Research Associate. M Vickers, Dept. of Chemistry, Christopher Ingold Laboratories, UCL, 20, Gordon Street, London, WC1H 0AJ.
  • Vickers, Miss Mary Elizabeth Senior Research Assistant. Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge, CB2 3QZ, England.
  • Vinković, Dr Mladen Associate Director. Astex Therapeutics, 436 Cambridge Science Park, Cambridgeshire, CB4 0QA, Cambridge, United Kingdom.
  • Vitorica Yrezabal, Dr Inigo Javier Experimental Officer - X-ray Diffraction. School of Chemistry, University of Manchester, Chemistry Building-5.62, M13 9PL, Manchester, United Kingdom.
  • Vollmar, Dr Melanie ARISE and Marie Curie Fellow. European Bioinformatics Institute (EMBL-EBI), Main Building, A2-34, Wellcome Genome Campus, CB10 1SD, Hinxton, United Kingdom.
  • von Delft, Dr Frank Scientist. SGC, -, -, Oxford, United Kingdom.
  • Vonrhein, Dr Clemens Global Phasing Ltd, Sheraton House, Cambridge, United Kingdom.
  • Wagner, Dr Armin Principal Beamline Scientist. Macromolecular Crystallography, Diamond Light Source, Diamond House DH2-52, Oxfordshire, OX11 0DE, Chilton, Didcot, United Kingdom.
  • Waksman, Professor Gabriel ISMB Director. Institute of Structural and Molecular Biology, Birkbeck College/UCL, Malet Street, London WC1E 7HX.
  • Walden, Dr Miriam Post-doctoral scientist. Biological Chemistry, John Innes Centre, Colney Lane, NR4 7UH, Norwich, United Kingdom.
  • Walker, Dr David X-ray Facility Manager. Department of Physics, University of Warwick, Gibbet Hill Road, West Midlands, CV4 7AL, Coventry, United Kingdom.
  • Walker, Dr David Physicist. Department of Physics, University of Warwick, Gibbet Hill Road, West Midlands, CV4 7AL, Coventry, United Kingdom.
  • walkinshaw, Professor malcolm Researcher. School of Biological Sciences, Edinburgh University, Max Born Crescent, EH93BF, Edinburgh, United Kingdom.
  • Wallace, Professor Bonnie Ann Professor of Molecular Biophysics. Department of Crystallography, Birkbeck College, University of London, Malet Street, London, WC1E 7HX, England.
  • Wallis, Professor John D. Professor of Organic Chemistry. Natural Sciences Research Centre, School of Science and Technology, Nottingham Trent University, Clifton Lane, Nottingham, NG11 8NS, England.
  • Wallwork, Dr Stephen Collier Retired. Department of Chemistry, University of Nottingham, University Park, NG7 2RD, Nottingham, United Kingdom.
  • Walsh, Dr Martin Deputy Director Life Sciences. Diamond Light Source Ltd., Diamond House, Harwell Science & Innovation Campus, Chilton OX11 0DE, Oxfordshire, UK.
  • Walter, Mr Thomas Research Assistant. Oxford Protein Production Facility, Wellcome Trust Centre for Human Genetics, Roosevelt Drive, Oxon, OX3 7BN, Oxford, United Kingdom.
  • Wang, Dr Hongchang Optics Scientist. Science, Diamond Light Source, Harwell Science and Innovation, OX11 0DE, Didcot, United Kingdom.
  • Ward, Miss Suzanna Manager of the Cambridge Structural Database. Cambridge Crystallographic Data Centre, 12 Union Road, CB1 1EZ, Cambridge, United Kingdom.
  • Warren, Dr Anna Beamline Scientist. Diamond Light Source, Harwell Science and Innovation Campus, Oxfordshire, OX11 0DE, Didcot, United Kingdom.
  • Warren, Dr Mark Application Scientist. i19 Small Molecule Crystallography, Dimaond Light Source, Harwell Science & Innovation Campus, OX11 0DE, Didcot, United Kingdom.
  • Warshamanage, Dr Rangana Postdoc. Structural Studies, MRC Laboratory of Molecular Biology, Francis Crick Avenue, -, CB2 0QH, Cambridge, United Kingdom.
  • Waterman, Dr David Geoffrey Computational Scientist. Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Didcot, Oxfordshire, OX11 0FA, United Kingdom.
  • Watkin, Dr David John Research Lecturer, Head of Department. Chemical Crystallography Laboratory, Chemistry Research Laboratory, Mansfield Road, Oxford, OX1 3TA, England.
  • Watson, Mr Christopher Laboratory Manager. INFAI UK Ltd, -, -, Leeds, United Kingdom.
  • Watson, Dr Kimberly A. Reader in Structural Biology. School of Biological Sciences, Harborne Building, Whiteknights Campus, University of Reading, Reading, Berkshire, RG6 6AS, UK.
  • Weakley, Dr Timothy J. R. Retired. Timothy Weakley, 65A Magdalen Yard Road, Dundee DD2 1AL, Scotland.
  • WEI, Dr Dengguo Researcher. Cancer Research UK Biomolecular Structure Group, School of Pharmacy, University of London, 29-39 Brunswick Square, WC1N 1AX, London, United Kingdom.
  • Welch, Professor Alan Jeffrey Professor. Institute of Chemical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, Scotland (UK).
  • Welch, Dr Mark Crystallographer. Mineralogy, The Natural History Museum, Cromwell Road, SW7 5BD, London, United Kingdom.
  • West, Professor Anthony Roy Professor of Chemistry. Chemistry Department, Aberdeen University, Meston Walk, Aberdeen, AB24 3UE, Scotland.
  • Westrip, Mr Simon Paul Software developer. Research and Development, IUCr, 5 Abbey Square, Cheshire, CH1 2HU, Chester, United Kingdom.
  • Weyand, Dr Simone Group Leader, Research Fellow. Biochemistry, University of Cambridge, 80 Tennis Court Road, CB2 1GA, Cambridge, United Kingdom.
  • White, Dr Andrew Crystallographer. Department of Chemistry, Imperial College, South Kensington, SW7 2AY, London, United Kingdom.
  • White, Dr Clinton L. Senior Group Director. Global Project Management at Quintiles, Inc. Edinburgh, United Kingdom.
  • White, Dr Fraser Applications Scientist. X-ray Diffraction, Agilent Technologies, 10 Mead Road, Oxon, OX5 1QU, Yarnton, United Kingdom.
  • White, Dr Janice Larraine Computer Manager. Molecular Biology, University of Sheffield, Western Bank, S10 2TN, Sheffield, United Kingdom.
  • White, Dr Scott Andrew Reader in Structural Biology. Dr Scott A. White, Protein Crystallography Group, School of Biosciences, University of Birmingham, Birmingham, B15 2TT, UK.
  • Whittingham, Dr Jean Lesley Post-doctoral research fellow. Chemistry, University of York, University Road, North Yorkshire, YO10 5YW, York, United Kingdom.
  • Wicker, Mr Jerome Cheminformatician. Oxford Drug Design, Oxford Centre for Innovation, New Road, OX1 1BY, Oxford, United Kingdom.
  • Wiggin, Dr Seth Senior Scientific Editor. CCDC, 12, Union Road, Cambridgeshire, CB2 1EZ, Cambridge, United Kingdom.
  • Wigley, Dr Dale B. Professor of Protein Crystallography. Division of Structural Biology, Chester Beatty Laboratories, 237 Fulham Road, -, SW3 6JB, London, United Kingdom.
  • Wilkinson, Professor Clive group leader, retired. ILL, France and Kings College London, -, -, -, -, United Kingdom.
  • Willcox, Professor Benjamin Ernest Professor of Molecular Immunology. CRUK Institute for Cancer Studies, University of Birmingham, Vincent Drive, Birmingham, B15 2TT, Edgbaston, United Kingdom.
  • Williams, Dr David Arfon Researcher. Hitachi Cambridge Laboratory, Cavendish Laboratory, Madingly Road, CB3 0HE, Cambridge, United Kingdom.
  • Williams, Professor David J. Professor of Structural Chemistry. Department of Chemistry, Imperial College, London, SW7 2AY, England.
  • Williams, Dr Pamela Protein Crystallography. Structural Biology, Astex Pharmaceuticals, 436 Cambridge Science Park, CB4 0QA, Cambridge, United Kingdom.
  • Williams, Dr Roger Group leader. Laboratory of Molecular Biology, Medical Research Council, Francis Crick Avenue, Cambridge, CB2 0QH, England.
  • Wilson, Professor Chick Chair of Physical Chemistry. Department of Chemistry, Building 1-South, University of Bath, Bath, BA2 7AY, United Kingdom.
  • Wilson, Dr Claire XRD experimental officer. Chemistry, Glasgow University, -, -, -, Glasgow, United Kingdom.
  • Wilson, Dr Julie Lecturer. Chemistry and Mathematics, University of York, Heslington, YO10 5DD, York, United Kingdom.
  • Windsor, Professor Colin George Retired. Culham Centre for Fusion Energy, Culham Science Centre, Oxfordshire, OX143DB, Abingdon, United Kingdom.
  • Winter, Dr Graeme Crystallographic methods developer. Scientific Software, Diamond Light Source Ltd, Harwell Science and Innovation Campus, Oxfordshire, OX11 0DE, Didcot, United Kingdom.
  • Winter, Dr Marcus John Retired. Marcus Winter.
  • Wood, Dr Ian G. Senior Lecturer. Centre for Materials Research, University College London, Gower StreetWC1E 6BT, WC1E 6BT, London, United Kingdom.
  • Wood, Dr Peter Andrew Research & Applications Scientist. Research & Applications, Cambridge Crystallographic Data Centre, CB2 1EZ, Cambridge, United Kingdom.
  • Wood, Professor Stephen academic. Centre for Amyloidosis and Acute Phase proteins, UCL - Medicine- Royal Free Campus, Rowland Hill St, NW32PF, London, United Kingdom.
  • Woodall, Dr Christopher Post doctoral researcher. Center for Science at Extreme Conditions, University of Edinburgh, The King's Buildings, Edinburgh, EH9 3JZ, Edinburgh, United Kingdom.
  • Woodward, Dr David Senior research Fellow. Department of Physics, University of Warwick, Gibbet Hill Road, West Midlands, CV4 7AL, Coventry, United Kingdom.
  • Wooles, Dr Ashley James Research Fellow. Chemistry (Liddle Group), University of Manchester, Oxford Road, M13 9PL, Manchester, United Kingdom.
  • Wright, Dr Helen Senior Lecturer in Computer Science. Department of Computer Science, University of Hull, Cottingham Road, HU6 7RX, Hull, United Kingdom.
  • Wu, Dr Houzheng Senior Lecturer. Room S3.18, Department of Materials, Loughborough University, -, LE11 3TU, Loughborough, United Kingdom.
  • Wu, Dr Yue Postdoctoral Fellow. Chemistry, University of Oxford, 12 Mansfield Road, Oxfordshire, OX1 3TA, Oxford, United Kingdom.
  • Young, Dr Robert James Scientist. Dr Robert Young, Process Development, Lonza Biologics, Slough, Berkshire SL1 4DX.
  • Yuan, Mr Meng PhD student. School of Biological Sciences, The University of Edinburgh, Room 3.25, Michael Swann Building King's Buildings, The University of Edinburgh Mayfield Road, Midlothian, EH9 3BF, Edinburgh, United Kingdom.
  • Yue, Dr Wyatt SGC Oxford, Old Road Campus Research Building, Headington, Oxford, United Kingdom.
  • Yufit, Dr Dmitry S. Senior experimental officer. Department of Chemistry, Durham University, South Rd, Durham, DH1 3LE, UK.
  • Yusenko, Dr Kirill Lecturer. Materials Engineering · MACH1, Swansea University, Singleton Park, Wales, SA2 8PP, Swansea, United Kingdom.
  • Yusop, Miss Siti Nurul'Ain PhD Student. School of Process,Environmental & Materials Engineering, University of Leeds, Clarendon Road, West Yorkshire, LS2 9JT, Leeds, United Kingdom.
  • Zanetti, Dr Giulia Reader in Structural Biology. Biological Sciences, Birkbeck College, Malet St., WC1E 7HX, London, United Kingdom.
  • Zebisch, Dr Matthias Senior Scientist. Evotec, 114 Innovation Dr, Milton Park, Oxfordshire, OX14 4RZ, Abingdon, United Kingdom.
  • Zhang, Dr Shu Yan Instrument Scientist. ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell Oxford, OX11 0QX, Didcot, United Kingdom.
  • Zhang, Miss Shuheng Post-doc. Chemistry, University of Leeds, -, -, -, Leeds, United Kingdom.
  • Zussman, Professor Jack Emeritus Professor. Department of Earth Sciences, University of Manchester, Manchester, M13 9PL, England.

United Kingdom

This is a list of forthcoming meetings in United Kingdom that are recorded in the IUCr Calendar of Events. Please let us know of any that are missing by completing this form or sending an email to forthcoming.meetings@iucr.org.

Reports of past activities in UK

2013 Warwick ECM28
2007 Manchester Remembering Cruickshank
1999 Glasgow Macromolecular phasing
1999 Glasgow Surface structure
1999 Glasgow Phase transitions
1999 Glasgow Perovskites
1999 Glasgow Crystal engineering
1999 Glasgow Charge-density analysis
1999 Glasgow Difficult structures
1999 Glasgow Topography
1999 Glasgow Structural enzymology
1999 Glasgow Teaching session
1998 London Molecular modelling
1998 Durham XTOP98
1997 Leeds BCA Spring Meeting

All events

This is a concise listing of all events in this country that are associated with the International Year of Crystallography 2014 and its follow-up initiatives.

11th Jan 2013 Bragg's Law Pippard Lecture Theatre, Cavendish Laboratory, Department of Physics, University of Cambridge.
14th Mar 2013 The Big Bang Fair, including BCA/STFC stand: The structure of stuff is sweet! London
25th Aug 2013 The Two Braggs University of Warwick
26th Aug 2013 A Special Symposium at ECM28 to mark the Bragg Centenary University of Warwick
7th Nov 2013 Crystals: Beauty, Science, Structure Oxford Museum of History of Science
3rd Dec 2013 Two Braggs Public Lecture Oxford
31st Jan 2014 A century of symmetry discovered: a crystallographer's tale London
13th Mar 2014 The Big Bang Fair Birmingham
15th Mar 2014 Nobel Structures: Celebrating Crystallography St Andrews
19th Mar 2014 Crystallography Display for IYCr2014 Diss, Norfolk
1st Apr 2014 Mineralogical Magazine Special Issue London
13th May 2014 Crystallography Lecture Series Edinburgh
7th Jun 2014 Cheltenham Science Festival Cheltenham
13th Jul 2014 BACG 2014: 45th Annual Conference of the British Association for Crystal Growth University of Leeds
17th Jul 2014 IYCr2014 Symposium celebrating Barkla, Bragg and Shechtman Liverpool
22nd Jul 2014 ESTEEM2 electron crystallography workshop Cambridge
20th Aug 2014 The Chemistry Between Them
25th Oct 2014 Order from Chaos: The Beautiful World of Crystals Manchester
29th Oct 2014 The Dorothy Hodgkin Symposium Oxford
4th Nov 2014 The Value of Exploring Mars to Mankind Liverpool
9th Nov 2014 Illuminating Atoms: How Crystallography Changed the World - Q&A Royal Albert Hall, London
15th Nov 2014 Max Alexander: Illuminating Atoms Royal Albert Hall, London
Nature Special: Crystallography at 100 Access the Nature Special: Crystallography at 100 as a precursor to the launch of Nature Milestones: Crystallography in July 2014
Edinburgh: Crystal Growing Competition Edinburgh To celebrate the International Year of Crystallography the School of Chemistry, at The University of Edinburgh, is launching a crystal growing competition for S3 and S4 pupils from schools in Edinburgh and the Lothians.
Atomic Radio London Radio adventures at the intersections of X-ray crystallography, art and design

This Special Report was published in the IUCr Newsletter, Vol. 17, Nos. 1 and 3 (2009).

Crystallography in Great Britain and Ireland

[Map wallpaper]
The first question in writing about our little archipelago off the shores of northeastern Europe is what to call ourselves. The title chosen is, I hope, neutral and geographical, but willy nilly, the adjective 'British' will keep coming up to describe us all. It is to be understood in the same sense as the word 'European' in the European Crystallographic Association, which includes Africa! In any case, as the cover shows, the application of a little crystallographic symmetry can help us all fit together better!

These islands cannot claim to be the birthplace of X-ray diffraction, but we can lay claim to be the first home of crystal structure analysis, and, for our size, to have made very substantial contributions to the subject ever since. Most of this history is well known to crystallographers. A brief history of the formation of the British Crystallographic Association is included, but most of what follows here is an account of some of the work currently going on in universities and in industry. It is by no means complete, and I have left the style as it was contributed. In most cases, a large number of websites are not given - it is now usually easier to use a search engine to learn more of the work of a particular person or institution than it is to try to copy a website carefully from a printed page! We hope that you enjoy learning more about us!

Bob Gould for the British Crystallographic Association

Prehistory of the British Crystallographic Association

[BCA logo]
Although X-ray diffraction was founded in physics, it rapidly became an interdisciplinary subject. Its potential for discovering the arrangement of atoms in crystals was recognized by the British physicists William Henry Bragg and his son William Lawrence Bragg. Structural research was thus providing information that was fundamentally chemical. It was appropriate that W. H. Bragg's appointment to the Royal Institution in 1923 was not only as Director of the Davy Faraday Laboratory but also as Fullerian Professor of Chemistry.

The Royal Institution was able to play a key role in the interdisciplinary development of X-ray crystallography because it was not a university. In the 1920s, departmental divisions in universities between physics and chemistry were usually rigid. The crossing of subject boundaries at the Royal Institution was facilitated by a family atmosphere within the research team, attracting not only physics-trained graduates such as Kathleen Yardley (later Lonsdale) and Gordon Cox, but also chemists such as J. Monteath Robertson. These three all went on to head departments of chemistry in universities where they introduced crystallography as the main line of research. As a result, crystallography was broadened to include molecular geometry, intermolecular interactions, and the possibilities for chemical changes in the solid state, alongside the physical interactions between atoms and ions, and the physical characteristics of crystalline matter. Meanwhile, W.L. Bragg founded research schools in the physics departments at Manchester and Cambridge universities whose specialities included crystal structure determination of chemical materials alongside physical crystallography. He was also conscious of the important applications of crystallography in industry, and in 1942 he held a large conference in Cambridge on relevant topics. He then founded, in 1943, an X-ray Analysis Group (XRAG) within the Institute of Physics.

One of the first international X-ray diffraction meetings was organized by W.H. Bragg at the Faraday Society in 1929, and this laid the foundation of a more formal international collaboration between crystallographers. Committees were set up to introduce a coordinated abstract scheme, to standardize crystallographic nomenclature, and to prepare and standardize space group tables.

Publication of the first edition of the International Tables for Crystallography in 1935 was a major achievement, in which Kathleen Lonsdale played a particularly important part. The war severely hindered international cooperation in Europe, although in 1943, W.L. Bragg made a hazardous journey to Sweden to re-establish contact with Swedish scientists!

In postwar years, interdisciplinary collaboration in UK crystallography ran into some difficulty. In those years it was considered essential for a professional academic scientist to be a member of an appropriate society. The relevant societies for physics and chemistry were the Institute of Physics (IoP) and the Chemical Society (CS). In the 1950s, the IoP, having merged with the Physical Society, was not only a learned society, organizing and sponsoring scientific meetings: it was also a professional association, accrediting members at various levels, providing career advice and professional insurance, and publishing journals that were offered to members at a reduced price. The overhead costs of examinations, accreditation, publication, advisory services and insurance enforced a large annual subscription, equivalent to one or two weeks' salary for a young lecturer. The CS was the learned society predominantly serving academic chemists, accreditation functions being carried out by the then separate Royal Institute of Chemistry, and they did not merge until 1980. In universities, membership of the IoP or the CS conformed closely, in most cases, to departmental boundaries between physics and chemistry.

Originally, XRAG provided a valued meeting point. Because chemical crystallographers had no corresponding group, many chemists joined the IoP at the cheapest grade of Subscriber and could take part in XRAG with no additional payment. XRAG meetings catered to the interests of physical, chemical and biological crystallographers, and to some extent those of mineralogists, geologists and metallurgists.

This amicable state of affairs continued until 1966. By that time the volume of research in chemical crystallography had grown to such an extent that it was felt there should be a Chemical Crystallography Group (CCG) of the CS. Under the chairmanship of Monteath Robertson, the new Group encouraged more activity among chemists in using the techniques and results of structure determination. Though this was a useful development, it caused some ill feeling, because it created a separation between physical and chemical crystallographers, when a single group had been so successful in the past. Some chemists continued to belong also to XRAG, which in 1969 became the Crystallography Group of the IoP (here called PCG to avoid ambiguity!). Without anybody wishing it, the barely significant difference between physical crystallographers and chemical crystallographers had been set in stone because of the rigid walls between physics and chemistry departments in many universities.

On the initiative of the PCG committee, under the chairmanship of Ted Steward, a United Kingdom Crystallographic Council (UKCC) was set up in 1969 which tried to prevent overlaps between crystallographic meetings, both of dates and topics, and to encourage occasional joint meetings. It catered not only to chemists and physicists but also to other crystallographers. It fulfilled a useful function, but because it had to avoid challenging the roles of the PCG and the CCG it proved too weak and ineffective to become a unifying British crystallographic society. It was the establishment of the European Crystallography Meeting (now the ECA) in 1970, and discussions about how the UK should be represented on it, that brought the groups together, with a joint members' meeting in 1971.

Meantime, the Royal Society had set up the British National Committee for Crystallography (BNCC) to represent it on the IUCr and to distribute its block grant for scientists attending the meetings of the IUCr. This job was complicated by the division in British Crystallography, and in 1978, Arthur Wilson, then chairman of the BNCC, proposed that it should provide an umbrella organization for the CG, the CCG and the UKCC. An ad hoc group was established, and it prepared a proposal for the 'Formation of a British Crystallographic Association' which was presented by Andrzej Skapski to the BNCC in May, 1979. However, there were two main difficulties - financial and organizational. The report said: 'A reserve fund of £4000-5000 would be invaluable in aiding the BCA to start its activities.' And was it right to attract membership from crystallographers loyal to the existing groups?

In the summer of 1980, John Robertson, in an article published jointly in the PCG and CCG newsletters, said that 'the crystallographic community of this country is divided into two major portions; there is consequent loss of much of the richness of our subject, and consequent frustration for our committees.' This alerted the two groups to the seriousness of the division but it was Stephen Wallwork who suggested how it might be overcome. His idea was that the PCG and CCG members should automatically belong to the new organization and these groups should continue unchanged, as joint groups linked both to their own society and to the new organization.

Important steps were taken at the J. M. Robertson Symposium held in Glasgow in September 1980, a landmark meeting because it included the two groups. Wallwork's proposals were favourably discussed and it was decided to arrange a special meeting of the two groups to consider them in more detail and, if they were accepted, to set up a working party to plan the formation of the new body. The initial proposals were put to the Councils of the RSC and the IoP, who were both very supportive. The Working Party rapidly agreed the name 'British Crystallographic Association' (BCA) and began work on a draft constitution. Wilson, who had much experience of this kind of drafting, was the mastermind in this activity. In comparison with the UKCC, the new organization would be much more powerfully placed to be the national representative of UK crystallography. The working party also set a target date for inauguration of the BCA at a crystallographic meeting in Durham, already planned for April 1982, a target that maintained a sense of urgency.

[Durham attendees] At the historic meeting in Durham, 1982, left to right: Brian Isherwood, Arthur Wilson, Andrzej Skapski, Charles Taylor, David Blow and David Phillips
A proposal made in May 1979 to amalgamate the two newsletters was finally implemented, and in March 1981 the first joint issue of a newsletter, edited by Moreton Moore, was published by the PCG and the CCG. The second issue (June 1981) was entitled Crystallography News, and it is still published under this name.

After considerable delay, approval of the charitable status of the new organization was obtained only three weeks before the inauguration date. David Blow had solved the problem of initial financial resources by suggesting that crystallographers should be invited to become founder members. By the inauguration date, 23 of these had guaranteed £100 each (as a ten-year membership subscription) and there were also five founder sponsors at this stage, offering £1850. The Inaugural Meeting on April 6, 1982, was attended by 127 people, and the recommendations of the working party were accepted unanimously, including the election of Sir David Phillips as President, and Dorothy Hodgkin as Vice-President. Hodgkin and Henry Lipson spoke at the inauguration. At the end of the inaugural meeting, Brian Isherwood proposed the establishment of an Industrial Group of the BCA, and David Blow proposed the establishment of a Biological Structures Group. This structure of four specialist groups within the BCA still survives, the Crystallography Group of the IoP having become the Physical Crystallography Group.

At the end of this historic meeting there was a great sense of euphoria. At the same time, members of the working party were well aware that the financial resources of BCA were inadequate. Indeed, some even doubted whether it could survive. The financial position soon improved, however, helped by the founder schemes. These were held open until the end of 1982, after which there were 52 Founder Members, and also 31 Founder Sponsors who donated over £12,000 between them. Most importantly of all, the BCA succeeded beyond all expectations as a scientific organization, with its active groups, its exciting annual meetings and, crucially, its large and enthusiastic membership. It has become one of the biggest crystallographic societies in the world.

David Blow and Stephen Wallwork

[Reprinted from Crystallograpy News 98, (2006). A fuller account is published in Notes Rec. R. Soc. Lond. 58(2), 177-186(2004)]


Current BCA officers

[BCA officers]
From left to right: President: Elspeth Garman, Vice president: Alexander J. Blake, Secretary: Georgina Rosair, Treasurer: Harry Powell.

Central facilities in the UK

The IUCr in Chester

[IUCr logo]
Although the IUCr is domiciled in Switzerland, all its administrative and publishing activities are carried out from its offices in Chester, UK. By 1962 the technical editing workload for the Union's publications had become too heavy for the university workers who had been doing this on an honorary basis since 1948. Thus, Stephen Bryant was appointed as the Union's first full-time Technical Editor; Stephen lived in Chester (he had previously been Senior Technical Editor at Shell's Thornton Research Centre near Chester). The first Union office was a room in Stephen's house!
[Sharpe, Clegg] IUCr stand at a BCA meeting: Andrea Sharpe with Bill Clegg.
The Union's first Executive Secretary, Jim King, was appointed in 1968 and the Union's joint administrative and editorial office was formed. Since those early times, the number of staff has increased as the size, scope and number of journals and other publications, such as the International Tables for Crystallography, has grown, and the office has moved to various locations within Chester to accommodate the increase. The Union now occupies three of the buildings in Abbey Square, and has three staff working in administration, 11 carrying out editorial work, four in R&D and one in promotions. The staff work with 39 Adhering Bodies and 19 Commissions; in addition, the publishing operation involves cooperation with over 150 scientific Editors and Co-editors worldwide and produces approximately 4000 papers and 15000 pages each year.

Just as computers and the internet have played a large part in crystallography they have also been important in crystallographic publishing in Chester. The work carried out has changed enormously, in line with the rapid developments in the printing industry and computing. Whereas in the past, journals were submitted as paper manuscripts and typeset using metal type, IUCr publications are now typeset electronically from files submitted online by the authors, and printed by 'direct to plate' methods.

The growth of the internet has meant that more publications are available online and the IUCr in Chester has been at the forefront of these developments. All the IUCr journals from 1948 to present day are available via Crystallography Journals Online (journals.iucr.org) and all eight volumes of the International Tables are available via International Tables Online (it.iucr.org).

The staff in Chester have worked closely with the crystallographic community on standards for the publication and interchange of crystallographic data. The work on the development of CIF, recognised in 2006 by the prestigious ALPSP Award for Publishing Innovation, has been a great success and has transformed the way small-molecule structural papers have been handled and data transferred to the databases. For macromolecules, it is envisaged that work in progress on mmCIF will facilitate transfer of data between authors, databases and journals in a similar way.

The IUCr operations are thus a small but important part of Crystallography in the UK. The IUCr staff would like to thank all those worldwide who have helped with their time and effort in making the work of the organization a success.

Andrea Sharpe

CCP4

[CCP4 logo]
The 'Collaborative Computational Projects' or CCPs in their heyday ran up into the teens. By far the hardiest has been CCP4, whose influence has been very great worldwide.

CCP4 is undoubtedly the most successful of the collaborative computing projects begun in the 1970s. For some reason, the name always makes me think of it as an organisation emanating from the cold-war era USSR, and to a certain extent it has been run along true socialist lines. The aim of CCP4 is to provide distribution of, and support for, software contributed by developers to whom no funds return directly. Rather, the developers receive funding from granting bodies, which expect the work to be made easily and quickly available to other crystallographers (whom the same funding bodies also support), a win-win situation. Traditionally, the rather gulag-sounding Working Groups 1 and 2 have run CCP4. Any PI in the UK can vote in the decisions of Working Group 1, which sets general policy, and any crystallographer in the UK can join CCP4 Working Group 2, which liases between users and developers. More recently CCP4 has acquired an Executive and a Scientific and Technical Advisory Board (STAB) to give more direction to the expanding team of scientists associated with CCP4. The nature of CCP4 has meant a constantly changing cast of contributing characters in the various working groups, Executive and STAB, so CCP4 has been fortunate to have had the guiding influence of Phil Evans and Eleanor Dodson since its inception. CCP4 has also had long-term financial and legal underpinning from CCLRC, and is currently funded by a grant from the BBSRC.

CCP4 faces one enormous opportunity and one enormous challenge in the years to come. The opportunity comes from the imminent move of the CCP4 group from Daresbury to Diamond and the challenge comes from the increasing desire of universities and funding bodies to financially exploit the commercial potential of software.

[CCP4 people] CCP4 people at Daresbury CCLRC Back row L-R: Francois Remacle, Charles Ballard, Dan Rolfe; Front row L-R: Maeri Howard, Peter Briggs, Martyn Winn, Norman Stein, Wanjuan Yang; Missing: Ronan Keegan
The move of CCP4's home from Daresbury to Diamond will give wonderful opportunities to collaborate with the beam-line scientists there and contribute to the development of streamlined structure solution pipelines. CCP4 will also benefit from being close to the new epicentre of practical macromolecular crystallography in the UK, and the regular visits from international scientists attracted by the state-of-the-art facilities. CCP4's years of accumulated experience in maintaining and distributing software over many software aeons (an aeon being about three years!) will also benefit other groups working at Diamond. This should be a well-funded enterprise, as structural genomics is seeing a large injection of funds into the development of software for structural biology. CCP4's has already collaborated with the SPINE, BIOXHIT, eHTPX and MAX-INF initiatives.

On the flip-side, the changing environment for the commercialisation of university research is a factor that CCP4 needs to adjust to. CCP4 has relied on licensing software from contributing developers without providing financial recompense. In the very beginning this arrangement was not even formalised, but mostly has been the subject of a contract made directly between the developer and CCP4 through CCLRC. Unfortunately, this direct relationship is being eroded by the increasing desire of institutions and funding bodies to stake a financial claim. Software is an attractive target for this interest, because it is directly saleable: it does not have the lead-time required to reap royalties from products that require manufacture. Another issue concerns the increase in litigation, which means that organisations are becoming more pro-active in their desire to limit their liability in case of software errors. Although it is exceptionally difficult to think of a scenario in which CCP4 software could be at fault to this degree, this issue has been the subject of a protracted dispute over the terms of the license under which future versions of CCP4 will be distributed, and the issue is currently unresolved. Despite these problems, CCP4 has recently attracted high-quality and popular new software programs to the suite. Together with in-house software developments, these keep CCP4 at the forefront of crystallographic methods development.

CCP4's contribution to macromolecular crystallography is not confined to the distribution of the CCP4 suite. CCP4 reaches out to the crystallographic community by attending most international crystallography meetings. The CCP4 Bulletin Board provides a lively forum for discussions on a wide range of protein crystallography topics, and CCP4 also produces a biannual newsletter that contains articles of general interest to crystallographers. The annual study weekends (held in early January each year) are a fixture of the crystallographic calendar and are a unique opportunity for developers to come together and discuss their latest ideas in focussed areas, such as molecular replacement, the topic of the 2007 Study Weekend. The goodwill that such activities generate in the crystallographic community will undoubtedly help CCP4 survive and thrive through its challenges.

Airlie McCoy

Particular thanks to Phil Evans and Martyn Winn for clarification of some details in this article.


Crystallography at the Synchrotron Radiation Source, Daresbury Laboratory

[SRS logo]
Crystallography was well represented at the SRS from the start of user operations in 1981 and remained a key activity until the last photons were delivered in August 2008. So much has been achieved that a short article cannot possibly do it justice: this overview will briefly highlight some of the major successes and developments over the years but, inevitably, many important advances will be omitted (see http://www.srs.ac.uk/srs for more detail). From the outset X-ray beamlines on the SRS provided instruments for protein crystallography (PX), fibre diffraction and topography, and within a few years the first superconducting wavelength shifter was delivering intense photon beams for high resolution powder diffraction (HRPD) and surface crystallography. X-ray absorption spectroscopy (XAS), which provides local structural detail and valence state information to complement crystallographic parameters, and small angle X-ray scattering (SAXS) techniques were also available and, like PX, the demand for these grew significantly justifying the construction of further beamlines.

Many advances were achieved through developments in detectors, data acquisition systems, focusing X-ray optics, and sample chambers (one for in situ molecular beam epitaxy perhaps being the most complex). For example, instruments built by the Daresbury Laboratory's Detector Group led to and helped retain the SRS's competitive edge by efficiently recording photons in both one and two-dimensions leading to information on chemical composition, as well as structure and kinetics under rapidly changing conditions. Similarly, the Collaborative Computational Projects (CCPs) developed data analysis methods in parallel and these continue to act as central repositories and suppliers of software to the community world-wide for PX, XAS, SAXS, powder and single crystal diffraction.

[Aerial view of Daresbury] Aerial view of Daresbury Laboratory
The PX beamlines were upgraded many times and witnessed truly massive advances from the early days of multi-pack film exposures to 'tiled' CCD detectors leading to fast data collection and 'same-day' structure solution. It was exceptionally rewarding that the SRS played a part in John Walker's 1997 Nobel Prize in Chemistry for elucidating the enzymatic mechanism underlying the synthesis of adenosine triphosphate. There has been a broad impact on molecular biology from other beamlines too, such as SAXS beamlines (through studies of DNA and muscle) which are now more commonly used for solution scattering experiments to gain details of molecular shape, particle size and nucleation, and for studying crystallinity in polymers. Early applications of circular dichroism to protein folding studies led to a dedicated beamline being built to study such mechanisms. The most recent PX beamlines largely used high flux multipole wiggler sources and state-of-the-art ADSC Quantum detectors. Wavelength selectivity (to optimise and exploit changes in f' and f'') is of course a fundamental reason for using synchrotron radiation (SR), and latterly PX routinely exploited this on the SRS. High throughput was achieved by robotic systems taking cryo-cooled crystals from storage racks, mounting, centering, and replacing them after data collection: in this way, crystal screening identified the best diffracting sample for subsequent full data collection. Apparatus was also developed to enhance crystallinity by varying humidity around the protein and then a microfocus beam was used to investigate ever smaller crystals (so requiring less starting material).

The launch of small molecule crystallography (SMX) on the SRS was an immediate success. For the first time, a dedicated, tuneable-wavelength beamline permitted structure solution using crystals too small and/or too weakly diffracting to be studied on conventional sources. This beamline was always heavily oversubscribed and highly productive, having delivered over 500 publications in 10 years, and a second, fixed-wavelength beamline was eventually built to increase capacity and provide beamtime for technique development. By then, both beamlines had Bruker ApexII detectors which, combined with the high flux, could record a full sphere of data in less than an hour. The last three years saw a growing emphasis on in situ experiments on single crystals to follow structural changes resulting from variations in physical or chemical conditions. Temperature was controlled simply using nitrogen or helium gas streams (10 K to 750 K) or a 'hot-head' goniometer, and pressure was varied using diamond anvil cells (DACs). Another sample cell (designed and built in-house) surrounded the crystal in different gaseous environments e.g. to allow the exchange of molecules inside nanoporous structures to be studied in detail. In common with research at other synchrotrons, significant progress was made with techniques to investigate molecules in transient excited states - termed 'photocrystallography' - and fascinating, and often unexpected, results were obtained. Both beamlines were accessed by the EPSRC-funded National Crystallography Service to examine crystals that resist structure solution on laboratory diffractometers using conventional X-ray sources.

Twenty years of powder diffraction on the SRS's high flux beamlines contributed to landmark results in fundamental physics and chemistry, pharmacy, engineering, magnetism, and Earth and environmental science. Variable temperature (80 K to 1250 K) was a common requirement but a much larger range of in situ experiments was tackled on the SRS. Energy-dispersive powder diffraction (EDPD) was used for experiments on samples contained in vessels with steel walls or restrictive X-ray windows. For example, a large volume hydraulic press, housing minerals in 1 cm3 capsules, simulated the high pressures and temperatures deep in the Earth. EDPD was also used for strain scanning of large engineering components constructed from steel or aluminium alloy such as aircraft components where tensile stresses might lead to catastrophic failure. A multipole wiggler beamline used mirror and sagittal crystal focusing to deliver very high flux monochromatic radiation for materials processing investigations: high count-rate RAPID detectors developed at Daresbury Laboratory recorded both wide- and small-angle scattering. Powder diffraction was combined with XAS and SAXS techniques on other beamlines too, for which a wide angle gas-microstrip position sensitive detector (HOTWAX) was developed in-house.

The crystallographic study of matter at high pressure in DACs was revolutionised following the introduction of image-plates in the early 1990s. Many structures previously recorded by EDPD methods were found to be incomplete or wrong. Systematic monochromatic studies of the elements and binary systems, some of which exploited resonant scattering, revealed both simple and highly complex structures. More recently, a flux gain of over 50 achieved with focusing Laue optics, when combined with an in situ read MAR345 image-plate, drastically reduced the rate limiting steps of recording and extracting the digitised data opening up a wealth of new possibilities across a broad range of science. This cutting edge research contributed to world leading advances such as structure solution from single crystals grown under pressure within the DACs from the powders of newly identified high-pressure polymorphs.

The SRS clearly made some important contributions to crystallography in industry in the UK (and in several other countries) through DARTS - see http://www.darts.ac.uk/ - by making a broad range of SR techniques available to organisations and offering a full materials characterisation service to businesses that did not have in-house crystallographers. This pioneering approach provided industries with data unobtainable from conventional X-ray sources (i.e. better spatial or time resolution, better signal to noise ratio, a combination of in situ measurements etc.) that proved to be critical to solving specific problems or making advances having short- and long-term commercial impact.

User operations on the new UK synchrotron, Diamond, began last year and the SRS has now 'handed over the baton' along with the legacy of thriving communities eager to undertake imaginative experiments to exploit the brighter photon beams. Crystallography will again be well represented and results are already showing that this new source, designed at Daresbury Laboratory, can meet the ever increasing demands placed on such facilities and allow UK users to compete on the world stage well into the future.

Graham Bushnell-Wye

Crystallography on the Harwell Science and Innovation Campus

This campus is in Oxfordshire about 15 miles south of the city of Oxford, in a rural area of the North Wessex Downs designated as an 'Area of Outstanding Natural Beauty' with good road and rail connections and about an hour's drive from Heathrow airport. User accommodation is available on campus. Two of the laboratories on this site are described below, the Rutherford Appleton Laboratory and the Diamond Light Source.

The Rutherford Appleton Laboratory

This multi-disciplinary laboratory maintains a proton synchrotron originally built for particle physics research in the 1960s. After the creation of the Centre for Research in Nuclear Physics (CERN) in Geneva, particle physics experiments moved to CERN and this synchrotron was converted into a spallation neutron source by extracting the proton beam on to a target to produce pulsed neutrons. At this time it was renamed ISIS. Moderators and choppers are used to produce beams of several different energies depending on the science to be studied and the instrument with which they are to be used.

[Figure 1, ISIS schematic] Figure 1
Neutrons are particularly good for studying the positions of hydrogen atoms which are more difficult to see using X-rays and since they have spin they can be used to study magnetic structures. The pulsed nature of the source means that time-resolved studies of changing structures can be carried out here. The facility provides beams of neutrons and other particles, muons, that enable scientists to probe the microscopic structure and dynamics of matter in areas encompassing physics, chemistry, earth science, materials science, engineering and biology. Altogether there are now 24 instruments, each with web pages of information on the instrument characteristics and applications. They are grouped together by scientific interest, for example, the crystallographic instruments are GEM, HRPD, PEARL, POLARIS, ROTAX and SXD while that for engineering applications, such as measuring the strain in railway lines, uses ENGIN-X. Further web pages provide summaries of each instrument suite to help you decide which instrument at ISIS could be suitable for your experiment.

The diagram (Fig 1) shows the clustering of the instruments around the target station in the experimental hall. The muon instruments, DIVA, MuSR and EMU are attached to one side of the extracted beam on the lower left, RIKEN on the other side.

Details can be found on the ISIS website at www.isis.rl.ac.uk/.

Reports on the recent science performed at ISIS can also be found there. Plans for a European spallation source are still on the drawing board so ISIS will remain Europe's only source of pulsed neutrons for the next few years.


The ISIS Second Target Station project

The accelerator can produce more protons for a second target station which will allow more instruments to be used and the ISIS program to expand into the key research areas of soft matter, advanced materials and bio-science providing 'cold' long wavelength neutrons with energies from 5 x 10-5 to 0.025 eV. Construction of the second neutron source began in July 2003; first neutrons have been produced. When the experimental program begins, seven new state-of-the-art instruments will be available to use the high flux of long-wavelength, low-energy neutrons. There are plans for a total of eighteen instruments which will involve scientific input from researchers in more than 10 countries around the world. Live web cameras show the progress of construction at http://ts-2.isis.rl.ac.uk.

There is not room in this article to describe all the instruments, so I mention just the one which provides high-resolution magnetic diffraction. The ability to produce diffraction patterns at nearly constant resolution over a wide range of lattice-spacings is one of the distinct features of time-of-flight sources such as ISIS. WISH is a long-wavelength instrument optimised for studying magnetism at an atomic level. Designed for powder diffraction at long d-spacing in magnetic and large unit-cell systems, it will specialise in such topics as magnetic clusters and extreme conditions of magnetic field and pressure.


Diamond Light Source (DLS)

The UK Government, via the Science and Technology Facilities Council (STFC), formerly the Central Council Laboratory of the Research Councils (CCLRC), and the Wellcome Trust sealed their partnership to build and operate the Diamond synchrotron on March 27, 2002. A joint venture company, Diamond Light Source Ltd, was then established to run this mission led by its Chief Executive, Gerhard Materlik.

The company is owned by its shareholders: STFC own 86%, the Wellcome Trust 14%. Other parties can buy shares in the company with unanimous agreement of the existing shareholders. The funders have committed to construct, commission, operate and decommission the Phase I facility consisting of the core facility, an electron synchrotron and seven beamlines and their associated instrumentation. Phase II, a further 15 beamlines, will be added at a rate of four or five per annum. Phase III will depend on user requirements as the facility develops. There is also the potential for User Installed Beamlines similar to the Collaborative Research Groups (CRGs) at the European Synchrotron Radiation Facility (ESRF).

Beamtime is allocated on the principle that it is funded by third parties to be provided free at the point of use to all academic and scientific users. Allocation is via a peer review process, operated by DLS to select proposals on the basis of scientific merit. A minimum of 30% of the time is made available for academic and charitable life sciences research.

In line with other synchrotrons, there are opportunities for third parties to use the facility, either by constructing their own beamlines or by purchasing beamtime. Any income raised through user charges are to be used to offset the facility operating costs or held as a contribution towards the costs of decommissioning the facility.

[Figure 2, Diamond schematic]
Diamond is a third-generation 3 GeV (Giga electron Volt) synchrotron light source. Third generation light sources use arrays of magnets, called insertion devices, to generate extremely intense, narrow beams of electromagnetic light, about 10,000 times brighter than the UK facility based at the Daresbury Laboratory in Cheshire. Diamond is currently the best medium-energy X-ray source in the world; it is optimised to produce X-rays with energies between 100 electron volts (soft X-rays) and 20,000 electron volts (hard X-rays). In addition, Diamond also provides a good source of X-rays up to 100,000 electron volts.

A series of pages on this website describe case studies of industrial applications by sector, including aerospace, automotive, bioscience, electronics, IT hardware, engineering, environmental science and studies to improve how ingredients in food products behave at the molecular level during manufacture. It has facilities to study both the very small, for example viruses and the drugs needed to combat them, and the very large such as airplane parts.

The seven beamlines of Phase I are now in operation, a further 22 should be available by 2012 and there is space for more.

Full details can be found at www.diamond.ac.uk/ where there is a clickable map of the beamlines confirmed to date covering the first five years of operation.

The UK Prime Minister visited Diamond in November 2006 to celebrate first light in the beamlines. In February 2007 the first scientific user was welcomed on beamline I06, many more have done experiments since then.

Kate Crennell

Acknowledgement: Most of the material in this article has been extracted from the websites provided by the laboratories. Please look at these websites for more complete current information than I have been able to summarise here.

STFC UK Science and Technology Facilities Council: www.stfc.ac.uk/

ISIS spallation neutron source: www.isis.rl.ac.uk/

ISIS 2nd target station: http://ts-2.isis.rl.ac.uk

DLS: www.diamond.ac.uk/


The UK National Crystallography Service (1981-...)

[NCS staff] NCS staff, left to right: David Hughes, Thomas Gelbrich, Mike Hursthouse, Simon Coles and Peter Horton
When the current funding period expires (Oct. 2009) the EPSRC UK National Crystallography Service will celebrate 28 years of continuous operation.

Under the directorship of Mike Hursthouse and funded by the chemistry program of the UK Research Council in its various guises - SRC, SERC, EPSRC, the Service was formally instituted in 1981 at Queen Mary College, London. For a number of years, the Service relied on a PDP8-controlled CAD4 diffractometer, which had previously been funded to support collaborations between the QMC crystallography group and a small number of external users. New users were quick to seek access to the Service, and the load was quite a handful for the one RA staff member, Anita Galas. As demand increased, additional staff members were appointed, and the Service also instigated new directions in computing habits. In the 1982 renewal, funds were awarded to purchase a dedicated 'main-frame' computer - a VAX 11/750. In 1988 this machine was retired when the move was made to a PC-based computing environment, with four 286 PC's hosting T800 transputers. Each of these was more powerful than the VAX, and the cluster was purchased using two years' worth of VAX maintenance contract money!

With such an active user base, there was no shortage of samples and the datasets, structures and publications flowed copiously. Spurred on by the obvious demand, Mike turned his attention to searching for new technology for faster data collection and obtained additional funding at the time of the 1988 renewal to develop area detector technologies for small molecule crystallography. By 1990 the National Service was producing crystal structures at an unprecedented rate using a Nonius FAST TV area detector. The success of this technology catalysed the current day CCD revolution. The staggering rate at which structures were being generated was also helped by the unique rotating anode source equipped with a molybdenum target. By 1997 it was time to embrace CCD technology and the throughput of the Service was intensified by coupling such a detector with a new Mo rotating anode.

[NCS machine]
The use of a highly sensitive detector operating in thick slicing mode with a new, state-of-the-art high flux RA generator, and new data processing and refinement software from the instrument manufacturers and academic colleagues, enabled the Service to tackle crystals that were so small or poorly formed that they would have previously been thrown away! Heading into the new millennium saw the Service, now based at the University of Southampton, as one of the most productive small-molecule crystallography facilities in the world.

Funding awarded in 2001 saw the addition of a second Kappa CCD to the rotating anode. At the same time, the Service commissioned the design and build of revolutionary X-ray focussing mirrors for Mo radiation which produced another giant leap forward, increasing the intensity of the source by a factor of six! In the laboratory, the Service could now handle exceptionally small crystals, mere microns in size, which would have previously required access to a synchrotron! However our users continue to test us with smaller and more demanding crystals and this renewal also saw the introduction of the synchrotron component of the National Service, which is run in collaboration with W. Clegg (Newcastle). The Southampton operation ensures that only the most suitable samples are sent to the synchrotron, where the service has approximately 40 days beamtime split evenly throughout the year.

The Service currently handles around 1200 samples a year, and, together with in-house work, the Southampton laboratory produces in excess of 2000 datasets and directly publishes over 70 papers per annum. Many additional publications are added to this total by Service users. In 2002 the Service became heavily involved in an e-Science pilot project. This has resulted in the development of an internet-mediated service which allows users to monitor the progress of their samples through the system, interact with the data collection and download their data. We are also pioneering the application of further automation in hardware and software in small molecule crystallography, starting with robotic handling of sample mounting, through data collection and processing, structure solving and validation to public dissemination. A highly successful pilot project around electronic data publishing has resulted in the eCrystals software, which is now being made available to the community. We hope this will provide a more open service to our users and a large increase in the provision of structural data to the chemistry community.

Simon Coles & Mike Hursthouse.

Southeastern England

Crystallography in London

Biological research

[SE Map]
Research activities within structural biology across London are coordinated by the London Structural Biology Consortium, created in October 2002. All academic structural biology research groupings are represented: Birkbeck, Cancer Research UK, Imperial College, Institute of Cancer Research, King's College, National Institute for Medical Research, Queen Mary, School of Pharmacy and University College.

The School of Crystallography at Birkbeck concentrates on structural biology, biophysics and bioinformatics as part of the Birkbeck/UCL Institute of Structural Molecular Biology. The School's approach to structural biology is increasingly one of combining protein crystallography with single-particle cryo-electron microscopy and 3-D reconstruction. There is a focus on pathogenesis and bacterial toxins (Gabriel Waksman, David Moss, Bonnie Wallace, Helen Saibil, Nicholas Keep), cancer and DNA repair (Neil McDonald, Tracey Barrett, Elena Orlova), chaperones, protein folding diseases and cataract (Helen Saibil, Elena Orlova, Nicholas Keep, Bibek Gooptu, Christine Slingsby) and cytoskeletal structure and function (Carolyn Moores, Nicholas Keep).

The Cancer Research UK London Research Institute operates at two locations. At the Clare Hall Laboratories, the research of Dale Wigley is focused on the enzymes that are involved in the replication and repair of DNA, utilising a variety of techniques in molecular biology, enzymology and X-ray crystallography. At the Lincoln's Inn Fields Laboratories, one long-term research goal is to understand protein regulation in the brain, including implications for neurodegeneration and cell-cycle control (Helen Walden). There is also interest in determining the structures of some of the multi-protein complexes that comprise the kinetochore (Martin Singleton), particularly those proteins involved in binding centromeric DNA and the complexes implicated in generating the spindle checkpoint signal at the kinetochore.

The Imperial College Centre for Structural Biology comprises over 20 affiliated research groups within the divisions of Molecular Biosciences and Biology, School of Medicine and Dept. of Chemistry. A major research theme is the development of new techniques for crystallization and crystallography of membrane proteins (So Iwata, Naomi Chayen), which has led to creation of The Membrane Protein Laboratory (MPL) as a joint venture between Imperial College and the Diamond Light Source, funded by the Wellcome Trust. The facility, under the directorship of So Iwata, is housed in a laboratory next to the beamlines at Diamond and became available for users in January 2008. The MPL is designed to train users in membrane protein crystallization and is also involved with the development of new methods for crystallization and data collection on membrane proteins, in collaboration with Gwyndaf Evans at Diamond. Members of the MPL are involved specifically in crystallization and structure determination work on a number of membrane proteins from the transporter, ATPase, respiration and GPCR families. Structural research at the Centre has included determination of a number of important crystal structures, including the human DNA repair enzyme Ape-1, XRCC1 BRCT domain, porcine spasmolytic polypeptide, and the disease-associated ATPase p97 (Paul Freemont). The Centre also has biomolecular NMR facilities (Stephen Matthews) and bioinformatics research (Michael Sternberg).

In the structural biology group at The Institute of Cancer Research, techniques of X-ray crystallography, electron microscopy, biophysics, biochemistry and molecular biology are combined to understand the structural basis for the function and regulation of proteins and complexes implicated in cancer. Research programs cover a range of key molecular systems and processes, including signal transduction (David Barford, Laurence Pearl, Richard Bayliss), cell-cycle control (Barford), transcriptional regulation (Pearl, Jon Wilson), targeted protein destruction (Barford, Ed Morris), chaperone function (Pearl), DNA repair (Pearl), chromatin modification (Pearl, Wilson) and chromosome dynamics (Bayliss). In addition to basic science programs, the section maintains close links with other groups that are involved in developing new therapeutics targeted at these systems, both within and outside The Institute of Cancer Research.

As part of the Randall Division of Molecular & Cell Biophysics at King's College London, the research interests of the structural biology group include structural studies on oxygenases (Roberto Steiner), antibodies that mediate allergy and asthma (Brian Sutton, Andrew Beavil), enzymes responsible for bacterial resistance to antibiotics (Paul Brown), protein/RNA complexes involved in RNA metabolism and initiation of translation (Sasi Conte), enzyme complexes that recognise and repair damaged DNA (Mark Sanderson), and proteins involved in the polyglutamine expansion diseases and other neurodegenerative disorders (Yu Wai Chen). A structural bioinformatics group has been established (Franca Fraternali) with research interests in the analysis and prediction of protein/protein and protein/nucleic acid interactions, and the analysis of small molecule/macromolecule interactions.

At the MRC-National Institute for Medical Research (NIMR) the structural biology group employs crystallography as one of a wide range of biochemical and biophysical techniques, including electron microscopy, NMR spectroscopy and single-molecule measurements. These methods are combined with bioinformatics approaches to study the structure and function of macromolecular assemblies involved in a variety of disease processes. Specific research interests are focused on signal transduction processes (Steve Gamblin, Katrin Rittinger, Steve Smerdon), transcriptional regulation (Gamblin, Smerdon, Ian Taylor), DNA damage signalling (Smerdon), innate immunity (Rittinger), influenza (Gamblin) and viral assembly (Taylor).

The cancer research UK biomolecular structure group at The School of Pharmacy (Stephen Neidle, Gary Parkinson), employs crystallography combined with molecular modelling/simulation to study nucleic acids and their interactions with small molecules in the context of anticancer drug discovery. One principal focus is on determination of quadruplex DNA structures, using the derived information to assist in the design of novel telomere-targeting and gene-targeting molecules. Other active structural projects consider protein-protein interactions and anti-infective agents, especially against MRSA.

The crystallographers within the School of Biological and Chemical Sciences at Queen Mary have a focus on photosynthetic reaction centres, plant proteins, enzymes, and proteins produced by bacterial phytopathogens (Richard Pickersgill, Norbert Krauss). The technologies of EPR/ENDOR spectroscopy (Steve Rigby, Peter Heathcote), NMR spectroscopy (John Viles), and electron microscopy (Jon Neild) are combined with crystallography (Pickersgill, Krauss) to understand protein activity and to study systems of greater size and complexity.

At University College, Dept. of Biochemistry and Molecular Biology (which is closely linked to the Birkbeck/UCL Institute of Structural Molecular Biology), X-ray crystallographic studies of biologically important proteins are carried out in conjunction with biophysical characterisation, NMR spectroscopy and bioinformatics investigations. Areas of research include pathogenesis (Gabriel Waksman and Snezana Djordjevic), signal transduction (Waksman and Djordjevic) and enzymatic mechanisms of pathogenic peroxidases (Djordjevic). In addition, neutron and X-ray scattering are used together with analytical ultracentrifugation to determine medium resolution solution structures for immunologically important multidomain proteins (Steve Perkins).

Chemical and materials research

The Industrial Materials group at Birkbeck (Paul Barnes, Nora Leeuw) focus on structure and dynamics of functional materials, with a particular interest in variations of structure on the timescales of about 1 second upwards. Principal techniques include PXRD, especially time-resolved in situ methods to study the consequences of chemical or physical changes, energy-dispersive diffraction, neutron diffraction, EXAFS and computer modelling.

Chemical crystallography at UCL (Derek Tocher, Jeremy Cockcroft) underpins research in inorganic and materials chemistry, as well as providing key data for the development of synthetic methods in organic chemitry. UCL is also the principal centre for the Control and Prediction of the Organic Solid State (CPOSS) project led by Sally Price, which aims to develop computational technology for the prediction of the crystal structures of organic molecules.

Research at the Davy Faraday Research Laboratory of the Royal Institution (Richard Catlow, Peter Day, Sir John Meurig Thomas, Paul McMillan, Richard Oldman, Gopinathan Sankar) focuses on solid-state and materials chemistry, including heterogeneous catalysis, surface chemistry, mineralogy, molecular solids and electronic and magnetic materials. The work of the laboratory is based on a combination of experimental and computational techniques, and the laboratory is a major user and developer of national and international central facilities for high performance computing, synchrotron radiation and neutron scattering.

Crystallography in Southeast Universities

At the University of Southampton, chemical crystallography research (Mike Hursthouse, Simon Coles, Thomas Gelbrich, Mark Light) focuses on structural systematics of families of functionalised organic compounds in order to gain insights into crystal assembly, to develop understanding of phenomena such as polymorphism and structural similarity, and to inform work on crystal structure prediction. Typical analyses consider matrices of related structures (often of the order of 100) by systematic approaches embodied in the group's XPac software package, which has been developed to provide an automated gauge of crystal structure similarity. The work is supported by a laboratory developed specifically to examine physical and thermal properties of crystalline solids in order to investigate structure-property relationships and structural transformations. The group is active in the areas of e-science and informatics, developing new approaches to open access publication of crystallographic data (and other analytical data), as well as remote experiment control and systems for data management and experiment analysis.

In Southampton's biological group, Jon Cooper pursues structural studies of various proteins, including enzymes of the tetrapyrrole biosynthesis pathway, C-C bond hydrolases, acute phase proteins, aspartic proteinases, methylotroph electron transport proteins and inositol monophosphatase. Recent projects include structural analysis of a calcium-signalling protein associated with learning and memory, and an invasion protein from the pathogen Burkholderia pseudomallei.

At the University of Reading, the research interests of Mike Drew span a broad range of structural chemistry, including small inorganic and organic molecules, metal complexes, host-guest interactions and chiral ruthenium complexes. The main research interest of Christine Cardin has developed into nucleic acid crystallography, focussing in particular on understanding the mode of action of the DACA family of anticancer drugs, developed by Bill Denny at the University of Auckland. The research of Ann Chippindale and Simon Hibble concentrates on ordered crystalline materials such as open-framework metal phosphates, sulphides and cyanides, and disordered crystalline materials, particularly simple transition-metal cyanides. Thermal studies, particularly of negative thermal-expansion materials, and single-crystal-to-single-crystal transformations are a principal research theme.

The functional materials group at the University of Kent (Alan Chadwick, Bob Newport, Gavin Mountjoy) concentrates primarily on atomic-scale structural properties of amorphous and nano-crystalline materials, including bioactive and other oxide glasses, Li-based solid-state battery materials and oxide nano-composites. Inelastic neutron scattering and X-ray absorption spectroscopy complement neutron and X-ray diffraction techniques, with in situ and time-resolved experiments becoming a prominent research area.

At the University of Sussex, Darren Thompson is engaged in crystallographic study of proteins in the complement cascade including the multi-protein complex C1, and short switch peptides that have been designed to change conformation from a coil to a finger upon addition of zinc.

At the University of Portsmouth, the main research focus of John McGeehan is on the structural characterization of nucleic acid proteins by macromolecular crystallography in collaboration with Geoff Kneale. He is also involved in collaborative projects with the ESRF and The Diamond Light Source to develop online microspectrophotometers, allowing UV/Vis, fluorescence and Raman spectra to be collected during synchrotron-based macromolecular crystallographic experiments.

Andrew Bond

To be continued in Volume 17, Number 3

Crystallography in Great Britain and Ireland

[Map of Great Britain and Ireland]
Continued from Volume 17, No. 1

Crystallography in London

Biological Research

Research activities within structural biology across London are coordinated by the London Structural Biology Consortium, created in October 2002. All academic structural biology research groupings are represented: Birkbeck, Cancer Research UK, Imperial College, Institute of Cancer Research, King's College, National Institute for Medical Research, Queen Mary, School of Pharmacy and University College.

The School of Crystallography at Birkbeck concentrates on structural biology, biophysics and bioinformatics as part of the Birkbeck/UCL Institute of Structural Molecular Biology. The School's approach to structural biology is increasingly one of combining protein crystallography with single-particle cryo-electron microscopy and 3-D reconstruction. There is a focus on pathogenesis and bacterial toxins (Gabriel Waksman, David Moss, Bonnie Wallace, Helen Saibil, Nicholas Keep), cancer and DNA repair (Neil McDonald, Tracey Barrett, Elena Orlova), chaperones, protein-folding diseases and cataracts (Helen Saibil, Elena Orlova, Nicholas Keep, Bibek Gooptu, Christine Slingsby), and cytoskeletal structure and function (Carolyn Moores, Nicholas Keep).

The Cancer Research UK London Research Institute operates at two locations. At the Clare Hall Laboratories, the research of Dale Wigley is focused on enzymes that are involved in the replication and repair of DNA, utilising a variety of techniques in molecular biology, enzymology and X-ray crystallography. At the Lincoln's Inn Fields Laboratories, one long-term research goal is to understand protein regulation in the brain, including implications for neurodegeneration and cell-cycle control (Helen Walden). There is also interest in determining the structures of some of the multi-protein complexes that comprise the kinetochore (Martin Singleton), particularly those proteins involved in binding centromeric DNA and the complexes implicated in generating the spindle checkpoint signal at the kinetochore.

The Imperial College Centre for Structural Biology comprises over 20 affiliated research groups within the Divisions of Molecular Biosciences and Biology, School of Medicine and Dept. of Chemistry. A major research theme is the development of new techniques for crystallisation and crystallography of membrane proteins (So Iwata, Naomi Chayen), which has led to the creation of the Membrane Protein Laboratory (MPL) as a joint venture between Imperial College and the Diamond Light Source, funded by the Wellcome Trust. The facility, under the directorship of So Iwata, housed in a laboratory next to the Diamond synchrotron, was first available to users in January 2008. The MPL is designed to train users in membrane protein crystallisation and is also involved with the development of new methods for crystallisation and data collection on membrane proteins, in collaboration with Gwyndaf Evans at Diamond. Members of the MPL are involved specifically in crystallisation and structure determination work on a number of membrane proteins from the transporter, ATPase, respiration and GPCR families. Structural research has included the determination of a number of important crystal structures, including the human DNA repair enzyme Ape-1, XRCC1 BRCT domain, procine spasmolytic polypeptide, and the disease-associated ATPase p97 (Paul Freemont). The Centre also has biomolecular NMR facilities (Stephen Matthews) and is involved in bioinformatics research (Michael Sternberg).

In the Structural Biology Section at the Institute of Cancer Research X-ray crystallography, electron microscopy, biophysics, biochemistry and molecular biology are combined to study the structural basis for the function and regulation of proteins and complexes implicated in cancer. Research programmes cover a range of key molecular systems and processes, including signal transduction (David Barford, Laurence Pearl, Richard Bayliss), cell-cycle control (Barford), transcriptional regulation (Pearl, Jon Wilson), targeted protein destruction (Barford, Ed Morris), chaperone function (Pearl), DNA repair (Pearl), chromatin modification (Pearl, Wilson) and chromosome dynamics (Bayliss). In addition to basic science programmes, the Section maintains close links with other groups that are involved in developing new therapeutics targeted at these systems, both within and outside the Institute of Cancer Research.

As part of the Randall Division of Molecular and Cell Biophysics at King's College London, the research interests of the Structural Biology Group include structural studies on oxygenases (Roberto Steiner), antibodies that mediate allergy and asthma (Brian Sutton, Andrew Beavil), enzymes responsible for bacterial resistance to antibiotics (Paul Brown), protein/RNA complexes involved in RNA metabolism and initiation of translation (Sasi Conte), enzyme complexes that recognise and repair damaged DNA (Mark Sanderson), and proteins involved in polyglutamine expansion diseases and other neurodegenerative disorders (Yu Wai Chen). A structural bioinformatics group has been established (Franca Fraternali) with research interests in the analysis and prediction of protein/protein and protein/nucleic acid interactions, and the analysis of small-molecule/macromolecule interactions.

At the MRC National Institute for Medical Research (NIMR), the Structural Biology group employs crystallography as one of a wide range of biochemical and biophysical techniques, including electron microscopy, NMR spectroscopy and single-molecule measurements. These methods are combined with bioinformatics approaches to study the structure and function of macromolecular assemblies involved in a variety of disease processes. Specific research interests are focused on signal-transduction processes (Steve Gamblin, Katrin Rittinger, Steve Smerdon), transcriptional regulation (Gamblin, Smerdon, Ian Taylor), DNA damage signalling (Smerdon), innate immunity (Rittinger), influenza (Gamblin) and viral assembly (Taylor).

The Cancer Research UK Biomolecular Structure Group at the School of Pharmacy (Stephen Neidle, Gary Parkinson) employs crystallography combined with molecular modelling/simulation to study nucleic acids and their interactions with small molecules in the context of anticancer drug discovery. One principal focus is on determination of quadruplex DNA structures, using the derived information to assist in the design of novel telomere-targeting and gene-targeting molecules. Other active structural projects consider protein-protein interactions and anti-infective agents, especially against MRSA.

The crystallographers within the School of Biological and Chemical Sciences at Queen Mary have a focus on photosynthetic reaction centres, plant proteins, enzymes, and proteins produced by bacterial phytopathogens (Richard Pickersgill, Norbert Krauss). The technologies of EPR/ENDOR spectroscopy (Steve Rigby, Peter Heathcote), NMR spectroscopy (John Viles) and electron microscopy (Jon Neild) are combined with crystallography (Pickersgill, Krauss) to understand protein activity and to study systems of greater size and complexity.

At University College, Dept. of Biochemistry and Molecular Biology (which is closely linked to the Birkbeck/UCL Institute of Structural Molecular Biology), X-ray crystallographic studies of biologically important proteins are carried out in conjunction with biophysical characterisation, NMR spectroscopy and bioinformatics investigations. Areas of research include pathogenesis (Gabriel Waksman and Snezana Djordjevic), signal transduction (Waksman and Djordjevic) and enzymatic mechanisms of pathogenic peroxidases (Djordjevic). In addition, neutron and X-ray scattering is used together with analytical ultracentrifugation to determine medium-resolution solution structures for immunologically-important multidomain proteins (Steve Perkins).

Chemical and materials research

The industrial materials group at Birkbeck (Paul Barnes, Nora Leeuw) focuses on structure and dynamics of functional materials, with a particular interest in variations of structure on timescales of about 1 second upwards. Principal techniques include PXRD, especially time-resolved in situ methods to study the consequences of chemical or physical changes, energy-dispersive diffraction, neutron diffraction, EXAFS and computer modeling.

Chemical crystallography at UCL (Derek Tocher, Jeremy Cockcroft) underpins research in inorganic and materials chemistry, as well as providing key data for the development of synthetic methods in organic synthesis. UCL is also the principal centre for the Control and Prediction of the Organic Solid State (CPOSS) project led by Sally Price, which aims to develop computational technology for the prediction of the crystal structure(s) of organic molecules.

Research at the Davy Faraday Research Laboratory of the Royal Institution (Richard Catlow, Peter Day, Sir John Meurig Thomas, Paul McMillan, Richard Oldman, Gopinathan Sankar) focuses on solid-state and materials chemistry, including heterogeneous catalysis, surface chemistry, mineralogy, molecular solids and electronic and magnetic materials. The work of the laboratory is based on a combination of experimental and computational techniques, and the laboratory is a major user and developer of national and international central facilities for high-performance computing, synchrotron radiation and neutron scattering.

Andrew Bond

Crystallography in the Southeast of England

At the University of Southampton, chemical crystallography research (Mike Hursthouse, Simon Coles, Thomas Gelbrich, Mark Light) focuses on structural systematics of families of functionalised organic compounds in order to gain insights into crystal assembly, to develop understanding of phenomena such as polymorphism and structural similarity, and to inform work on crystal structure prediction. Typical analyses consider matrices of related structures (often of the order of 100) by systematic approaches embodied in the group's XPac software package, which has been developed to provide an automated gauge of crystal structure similarity. The work is supported by a laboratory specifically developed to examine physical and thermal properties of crystalline solids in order to investigate structure-property relationships and structural transformations. The group is active in the areas of e-science and informatics, developing new approaches to open-access publication of crystallographic data (and other analytical data), as well as remote-control experiments and systems for data management and experimental analysis.

In Southampton's biological group, Jon Cooper pursues structural studies of various proteins, including enzymes of the tetrapyrrole biosynthesis pathway, C—C bond hydrolases, acute phase proteins, aspartic proteinases, methylotroph electron transport proteins and inositol monophosphatase. Recent projects include structural analysis of a calcium-signalling protein associated with learning and memory, and an invasion protein from the pathogen Burkholderia pseudomallei.

At the University of Reading, the research interests of Mike Drew span a range of structural chemistry projects, including small inorganic and organic molecules, metal complexes, host-guest interactions and chiral ruthenium complexes. The main research interest of Christine Cardin has developed into nucleic acid crystallography, focusing in particular on understanding the mode of action of the DACA family of anticancer drugs, developed by Bill Denny at the University of Auckland. The research of Ann Chippindale and Simon Hibble concentrates on ordered crystalline materials such as open-framework metal phosphates, sulphides and cyanides, and disordered crystalline materials, particularly simple transition metal cyanides. Thermal studies, particularly of negative thermal-expansion materials, and single-crystal-to-single-crystal transformations are a principal research theme.

The functional materials group at the University of Kent (Alan Chadwick, Bob Newport, Gavin Mountjoy) concentrate primarily on atomic-scale structural properties of amorphous and nano-crystalline materials, including bioactive and other oxide glasses, Li-based solid-state battery materials and oxide nano-composites. Inelastic neutron scattering and X-ray absorption spectroscopy complement neutron and X-ray diffraction techniques, with in situ and time-resolved experiments becoming a prominent research area.

At the University of Sussex, Darren Thompson is engaged in crystallographic study of proteins in the complement cascade including the multi-protein complex C1, and short-switch peptides that have been designed to change conformation from a coil to a finger upon addition of zinc.

At the University of Portsmouth, the main research focus of John McGeehan is on the structural characterisation of nucleic acid proteins by macromolecular crystallography in collaboration with Geoff Kneale. He is also involved in collaborative projects with the ESRF and The Diamond Light Source to develop online microspectrophotometers, allowing UV/Vis, fluorescence and Raman spectra to be collected during synchrotron-based macromolecular crystallographic experiments.

Andrew Bond

Crystallography in Cambridge

Crystallography has been studied at Cambridge University since the very early days of the subject. W. L. Bragg invented the subject of X-ray structural analysis at the Cavendish laboratory and later encouraged and supported the work of a string of famous crystallographers including Max Perutz, Francis Crick and James Watson. The Cambridge Crystallographic Database began life within the Cambridge University Chemical Laboratory (where George Sheldrick wrote SHELX76) and these two institutions still share the same site. In keeping with this history, crystallographic techniques of every sort are still used widely in many different research laboratories within Cambridge University. No attempt will be made here to detail these activities because the list would be too long and the risk of failing to include important work would be too great.

Within the University, crystallography continues to be taught at both undergraduate and graduate levels.

What follows is a brief description of some of these courses - but please note, this list may not be complete …

In the Dept. of Materials Science & Metallurgy, K. M. Knowles offers a course in X-ray diffraction, transmission electron microscopy, crystallography of interfaces, quasicrystals and vector algebra. In the Dept. of Chemistry, D. Jefferson presents 24 lectures in two one-year courses 'Structure Determination by Diffraction' and 'Advanced Diffraction Methods'. In the Dept. of Biochemistry, T. Blundell gives a major course of lectures on techniques (including crystallographic techniques) for biochemistry and molecular biology. In the Dept. of Physics, J. Cole offers a course on diffraction.

The courses are all excellent in that they manage to achieve a very great deal with a relatively small number of lectures – but for many of us who remember the old Cambridge 'Crystals' course that was taught in the Cambridge Dept. of Mineralogy and Petrology in the 1960s and 1970s, these modern courses do reflect an increasing tendency in Cambridge to teach less rather than more crystallography to our undergraduates. If this trend in Cambridge is part of a wider trend in other universities, are we happy with it? If we are not happy with it, what can we do to improve matters?

John E. Davies

Crystallography in Oxford

If crystallography can loosely be defined as the study of periodic solid-state materials, then Oxford undergraduates can be exposed to a wide range of lectures.

In Biochemistry, courses are taught on fundamentals, electromagnetic radiation and matter, physical methods, and macromolecular crystallography. In Chemistry, courses are taught in inorganic solids, diffraction theory and principles, solid-state chemistry, solid and surface structure, inorganic applications of physical methods, interfaces, and practical X-ray structure analysis. There is a course on structure of materials in the Materials Science Dept., and basic crystallography is taught in the Physics Dept.

David Watkin

Crystallography in Birmingham and Aston

Birmingham has a proud record in synthetic organic chemistry. Thomas Hamor carried out many years of productive collaboration with synthetic chemists, providing key information to rationalize structural and mechanistic results. Kenneth Harris brought powder diffraction into the arena of chemical crystallography, developing and applying methods for the solution of organic structures from powder diffraction data. Currently powder diffraction is represented with panache by Maryjane Tremayne, concentrating on organic/pharmaceutical structures, and Joseph Hriljac, specializing in zeolites.

Crystallography has an important presence in the School of Biosciences thanks to the research groups headed by Klaus Fütterer and Scott White. They are studying the structural basis of signaling processes and the structure of key enzymes: (1) those involved in cell wall synthesis in pathogenic mycobacteria and (2) exo-polyphosphatase, nitroreductase and transhydrogenase enzymes. Students in this school are provided with a course in structural bioinformatics which guides them in the correct use of structural databases and development of models.

Aston ascended to university status in 1966. In its early days applied crystallography was important, notably for materials analysis in collaboration with local industry. Norman Grimes in the Physics Dept. became an expert on spinel structures; his rectification of incorrect space group assignments earned him a reputation as the 'Marsh of spinels'.

The arrival of Carl Schwalbe in 1972 initiated a programme of pharmaceutical crystallography that continues to the present day. Single-crystal X-ray diffraction, complemented by neutron diffraction where appropriate, is used to answer structural questions about synthetic and natural products as well as to relate molecular structure to drug action and crystal structure to drug delivery. The MPharm course includes five lectures on theory and applications of crystallography in a structure determination block and two sessions on powder diffraction in an analytical block.

As befits an institution founded in the 19th century, the University of Birmingham has a long, varied and distinguished record in crystallography. Famed for his early work on intensity statistics and his long editorship of Acta Crystallographica, Arthur J. C. Wilson joined the Dept. of Physics in 1965. Along with his colleague Ian Langford he built up a strong programme of research in powder diffraction.

Carl Schwalbe

Crystallography in Southwest England and Wales

Cardiff University

Liling Ooi is currently managing the chemical crystallography service at Cardiff University with an interest in in situ solid-state reactions. The research of Kenneth Harris focuses on physical crystallography with a special interest in solid inclusion compounds, incommensurate solids, hydrogen-bonded systems and disordered materials.

The School of Optometry and Vision Sciences houses the research group of Tim Wess whose interests lie in structural biophysics which include the investigation of order and disorder in the structure of biological systems.

University of Bath

The Chemistry Dept. hosts a range of crystallographers including Paul Raithby whose research includes the structural chemistry of new luminescent lanthanide complexes, and of organo-metallic polymers and their molecular precursors where X-ray radiation from a synchrotron coupled with laser excitation is used to probe the structures of these and related materials in their photo-activated excited states. Andy Burrows' research interests lie within the fields of transition metal and supramolecular chemistry and focus on the design and use of multifunctional ligands to make array materials using crystal engineering techniques.

Mary Mahon investigates all aspects of structural chemistry that involve X-ray crystallography. In particular, she is interested in supramolecular architectures that involve either covalent or non-covalent interactions in lattice arrays, and charge-density studies on organic and inorganic materials. Matthew Davidson uses charge-density techniques to establish the nature of the bonding in a range of key metal catalysts. Gabriele Kociok-Köhn is the departmental staff crystallographer.

Crystallographers in the structural molecular biology group include K. Ravi Acharya. The overall goal of his research is on a molecular approach to understand the structure-function relationship of inflammatory proteins with a long-term view of using them as targets for therapeutic intervention. Susan Crennell uses X-ray crystallography to research bacterial pathogens and their adaptation to extreme environments. Jean van den Elsen's research covers identification of the structural and functional determinants involved in microbial pathogenesis, immune recognition and the ability of our immune defense system to discriminate between 'self' and 'non-self'.

University of Bristol

The structural chemistry laboratory, managed by Jonathan Charmant, is home to three single-crystal and one powder diffractometers. Guy Orpen's research includes crystal engineering and structural systematics - analysis of collections of crystal structures; John Jeffery characterises new coordination complexes which have applications such as novel non-linear optical behaviour; Chris Adams uses nitro and iodo groups to direct the solid state and Simon Hall uses biotemplates to synthesize novel high-temperature superconductor crystals.

The School of Chemistry is also equipped with a Bruker AXS Nanostar small-angle X-ray scattering instrument that is used for analysis of novel polymers, nanoparticles and other medium-sized molecules. Terrence Cosgrove and Charl Faul have interests in these areas. In the electron microscopy facility, Sean Davis analyses thin films and small particles by high-resolution lattice imaging and electron diffraction experiments.

Structural biologists led by Leo Brady study protein structure, primarily using protein crystallography, with the aim to probe crucial biomolecular interactions central to a variety of diseases. Ian Collinson uses structural data to investigate protein transport and integration through phospholipid bilayers. Andrea Hadfield uses structural techniques to analyse proteins involved in bacterial pathogenesis.

University of Exeter

Jenny Littlechild's interests lie in structural biology and include molecular genetics and protein purification and characterisation.

Alex Griffin

Crystallography in Northern Universities (From South West to North East)

[Map of Northern universities]
The northern universities are detailed on the University of Wolverhampton's interactive map of UK higher education institutions (www.scit.wlv.ac.uk/ukinfo).

Crystallographic studies underpin much of the work of the inorganic materials group in the Chemistry Dept. at Liverpool. Groups such as those led by Matt Rosseinsky, Andrew Fogg and John Claridge rely heavily on crystallographic methods (at home and central facilities) in their quest to understand structure-property relationships in complex functional materials (www.liv.ac.uk/chemistry/index.html). Alexander Steiner and his group deal with single-crystal X-ray structure analysis and in situ crystallisation of molecular materials. In the School of Biological Sciences the structural biology research group focuses on understanding disease pathways (www.liv.ac.uk/biolsci/research/groups/structural/). Engineering (www.liv.ac.uk/engdept/index.htm) groups work, inter alia, on the crystallographic aspects of phase transitions in materials. At Liverpool John Moores (http://cwis.livjm.ac.uk/bms) the groups of Colin Reynolds, Hilary Evans and Fritjof Korber have research interests that include structure-function studies of proteins, photosynthesis, and experimental methods for macromolecular crystallography.

The University of Manchester has a long association with crystallography – Sir W. L. Bragg was professor of physics from 1919 to 1937, Henry Lipson of 'Beevers-Lipson strips' fame held the chair of physics and Durward Cruickshank held the chair of theoretical chemistry at UMIST. Today, crystallographers in Manchester, and those intensively employing crystallographic methods, include approximately 20 principal investigators and their teams. The Laboratory of Structural Chemistry in Manchester (http://spec.ch.man.ac.uk/Structural_Chemistry.html), linked for three decades with the nearby national SRS, involves John R. Helliwell (IUCr Acta Crystallographica Editor-in-Chief 1996-2005), Madeleine Helliwell and James Raftery. Their research interests span many areas, and there has been a particular focus on using synchrotron radiation to develop techniques such as metal anomalous scattering of metalloproteins and metal-AlPO framework materials, as well as time-resolved Laue and temperature-resolved structural studies of enzymes and liquid crystals, respectively. One major scientific riddle solved by the Manchester group is why lobsters change colour from blue to orange/red on cooking, which relied on softer X-ray anomalous scattering studies at the SRS. Structural studies on framework inorganic materials are also pursued by members of the materials chemistry group (M. W. Anderson and M. P. Attfield). Helen Gleeson studies anti-ferroelectric liquid crystals. Crystallography is extensively employed by R. E. P. Winpenny and collaborators in studies of molecular magnetism, P. O'Brien in nanomaterials studies and J. Joule in organic heterocyclic chemistry studies. Structural biology is a major focus in the faculty of life sciences (www.ls.manchester.ac.uk/research/themes/structuralbiology/), where crystallographic structural research themes include biocatalysts (David Leys and Anna Roujeinikova), membrane proteins (Jeremy Derrick and Steve Prince), RNA-protein interactions (Graeme Conn), cell signalling (Lydia Tabernero) and extracellular matrices (Jordi Bella). The recent formation of the Manchester Interdisciplinary Biocentre (MIB - www.mib.ac.uk/) is a further recent expansion in crystallography's contribution to structural biology in Manchester. In the school of materials, several staff members (Cernik, Freer, Withers and others) use crystallography to study functional materials. Roger Davey of the school of chemical engineering and analytical science (www.ceas.manchester.ac.uk) has interests in many aspects of crystal nucleation and growth, in particular molecular crystals, polymorphism and the applications of crystal chemistry to both industrial problems and the design of inorganic and molecular materials. He is director of the Manchester/Liverpool Molecular Materials Centre.

In the school of pharmacy at Bradford, Nick Blagden's group is interested in the phenomenon of pharmaceutical polymorphism, and in particular how solvents and additives can influence polymorph formation.

Sue Kilcoyne at Salford (www.seek.salford.ac.uk/) studies the structural and magnetic properties of metallic alloys, amorphous materials, biological nanomagnets and superconductors. Her interests include formation, transformation and crystallisation in glasses and alloys of scientific, technological and biomedical relevance, work which has involved elegant in situ diffraction studies. Keith Ross' interests include hydrogen storage materials and ceramic superconductors.

[The Angel of the North]
[Durham cathedral]
[A Yorkshire mill]
[The Liver Building, Liverpool] Icons of the North.
At Sheffield University there are active crystallographic groups in the molecular biology and biotechnology, chemistry and engineering materials departments. Biological structural studies were established in Sheffield in 1955 by Pauline Harrison, who carried out investigations on the iron-storage protein ferritin. The current protein crystallography groups, part of the Krebs Institute (www.shef.ac.uk/mbb/research/s-b), are led by David Rice, Peter Artymiuk, John Rafferty and Patrick Baker. The Krebs Institute possesses excellent NMR, electron microscopy and X-ray crystallography facilities. The interdisciplinary structural studies group consists of some 50 scientists, roughly half of them crystallographers. Research interests include structural analyses of interactions between nucleic acids and proteins, molecular recognition and catalysis, drug design, development of new computational/informatics methods, and membrane proteins. In engineering materials (www.shef.ac.uk/materials/), groups including those of A. R. West, N. C. Hyatt and D. C. Sinclair have interests in ceramics and solid-state chemistry that are underpinned by diffraction methods. Their interests include battery materials, microwave dielectrics, ferroelectrics and phase transitions at high temperature/pressure. In chemistry (www.shef.ac.uk/chemistry), single-crystal diffraction underpins research in supramolecular, coordination, organometallic and organic chemistry through the X-ray laboratory run by Harry Adams. Lee Brammer's group uses single-crystal and powder X-ray crystallographic methods for structure solution in areas of crystal engineering including hydrogen- and halogen-bonded networks and porous metal-organic frameworks. Synchrotron powder diffraction is being used for in situ studies of gas-solid reactions and high-pressure crystallography is being used to study intermolecular interactions. Fairclough and Ryan's group apply SAXS, SANS, XRD, grazing incidence and reflectivity to soft materials and biomolecules. Both are active users of large-scale facilities such as the ISIS neutron source and the synchrotron radiation sources at Diamond and the ESRF in Grenoble, France. R. A. L. Jones in Physics uses X-ray and neutron reflectivity to study polymer interfaces and surfaces.

A small but dedicated group of materials chemists make use of single-crystal and powder diffraction facilities at the University of Hull. Steve Archibald oversees the running of a sturdy Stoe IPDS to study a variety of samples from within the department, particularly organometallics. M. Grazia Francesconi and Tim Prior are both interested in determining the structures of new non-oxide ceramics such as nitrides, nitride-halides, and intermetallics.

Leeds is another northern university with a strong crystallographic heritage. W. H. Bragg was Cavendish professor of physics at Leeds in the revolutionary year of 1912 when he and W. L. Bragg realized the importance of diffraction for unravelling crystal structures. William Astbury, who originally identified the two major recurring patterns of protein structure (alpha and beta), who took the first fibre diffraction pictures of DNA (in 1938), and who is widely credited with the definition of the field of molecular biology, was at Leeds from 1928 to 1961. The Astbury Centre for Structural Molecular Biology (www.astbury.leeds.ac.uk/) brings together 50 academic staff with the common aim of understanding biology at the molecular level. The X-ray crystallography group is led by Simon Phillips. His research focuses on structural and functional studies of biological molecules, with a particular interest in the critical biological problem of how these molecules recognise each other. Systems under study include protein-DNA, protein-RNA and protein-ligand interactions. Simon also coordinates the crystallography component of the Leeds contribution to the BBSRC-funded membrane protein structure initiative (www.mpsi.ac.uk); northern partners include Sheffield and Manchester. Mark Parsons' main interest is structural enzymology and currently focuses on dihydroorotate dehydrogenases from humans and from pathogens. The aims of this work are to dissect the catalytic mechanism of the enzymes and, in collaboration with colleagues in the school of chemistry at Leeds, to design and characterise species-specific inhibitors. Thomas Edwards' research interests are the control of gene expression at the RNA level through structural studies of RNA-binding proteins, particularly those in genetic pathways controlling embryogenesis. Arwen Pearson uses a combination of single-crystal spectroscopy and X-ray crystallography to probe enzyme mechanism, with a focus on using rapid freeze-trapping techniques to determine the crystal structure of spectroscopically defined intermediates. In the school of process, environmental and materials engineering, Kevin Roberts and Robert Hammond have interests in structures, polymorphism and morphology of molecular systems. The condensed matter group in the school of physics and astronomy (www.stoner.leeds.ac.uk/) has interests in the structural, electrical and, in particular, magnetic properties of metals, semiconductors and superconductors.

The world-renowned York Structural Biology Laboratory was started in 1976 by Guy and Eleanor Dodson and strengthened in the early 1980s by the arrival of Rod Hubbard and later Keith Wilson (www.ysbl.york.ac.uk/). The laboratory now houses more than 80 scientists. A key aim of the lab is to provide integrated facilities and expertise for biology and structure determination. They categorise their work in 3 main areas: structural biology to provide insights into the molecular mechanisms underlying biological functions; probing the chemistry of biological processes in areas such as structural enzymology, reaction mechanisms and fundamental studies of molecular interactions; and the development of crystallographic methods. York has had a huge influence in this latter area. The computer programme MULTAN from the groups of Woolfson and Main in physics (who themselves came from the Lipson/Manchester group) was one of the earliest software packages for direct methods and was used to solve around half of all crystal structures in the 1980s. The YSBL are heavily involved in CCP4, the Collaborative Computational Project in Protein Crystallography, and in developing new crystallographic methods.

The resurgence of crystallography in the chemistry dept. at Durham University was initiated by the arrival of Judith Howard in 1991. The groups of Howard and Andres Goeta (www.dur.ac.uk/crystallography.group/) have wide-ranging interests in structural science and work, inter alia, on single-crystal studies at ultra-low temperatures, innovative instrument design, and software development. The groups of John Evans, Ivana Evans and Kosmas Prassides in chemistry (www.dur.ac.uk/chemistry/) have wide-ranging interests in the structural chemistry of extended systems and all make extensive use of powder diffraction methods. The Evans' have been particularly active in developing methodologies for solving complex inorganic superstructures from powder data and in developing methodologies such as 'parametric Rietveld refinement' for extracting the maximum information possible from large bodies of diffraction data. John also distributes the JEDIT interface for TOPAS academic (www.dur.ac.uk/john.evans/topas_academic/topas_main.htm). Jonathan Steed's group is active in supramolecular chemistry, crystal engineering and gel-phase materials, and they have a particular interest in polymorphism in crystal structures with Z' > 1 (www.dur.ac.uk/zprime/). In 2007 Emke Pohl, whose interests are in structural biology, joined the chemistry biological science departments. There is also significant activity within the condensed matter group of the physics dept. (www.dur.ac.uk/xray.magnetism/Site/welcome.php). Brian Tanner's group works on the relationship between structure and magnetic properties of thin film materials used for magnetic devices in the recording industry. Tanner was also a founding director of Bede X-ray Metrology (www.bede.com/) which was spun out of Durham University in 1978. Bede is a global leader in non-destructive X-ray metrology for semiconductor manufacturing and has its headquarters in Durham. Peter Hatton's work focuses on highly correlated oxide systems, and in particular the application of resonant soft X-ray scattering for their study. Durham has also hosted the biennial BCA CCG course in X-ray structural analysis for the last 12 years (see elsewhere for details). In alternate years it now hosts the PCG Structural Rietveld Refinement School (alternating magnetic Rietveld schools are held at Cosener's House in Abingdon).

The chemical crystallography group in Newcastle (www.ncl.ac.uk/xraycry/) is led by Bill Clegg who has wide interests in small-molecule crystallography. Bill's group were amongst the first in the UK to use a commercial CCD system for small-molecule data collection. Bill also runs the synchrotron component of the UK EPSRC-funded crystallographic service via which samples too small or too poorly diffracting to collect on rotating-anode facilities at Southampton are taken to Diamond. The group has a particular interest in the structural chemistry of the s-block complexes and supramolecular coordination chemistry. Richard Lewis and Mark Banfield have recently established a protein crystallography lab at the Institute for Cell and Molecular Biosciences (www.ncl.ac.uk/camb/). Rick's predominant interests are in protein:protein complexes. Mark, a Royal Society university research fellow, studies the molecular mechanisms of virulence in pathogenic bacteria. Both utilise a range of other research tools and there are strong internal collaborations on a diverse range of topics, including metallproteins and metal chaperones, fimbriae formation, DNA polymerase:DNA complexes and the specificity of protein:carbohydrate interactions.

John Evans

Crystallography in the East of Scotland

High pressure has been an active area of research in Edinburgh for 20 years, but it received a boost in 2001 with the formation of the Centre for Science at Extreme Conditions (CSEC). CSEC is a multidisciplinary centre with members drawn from physics, chemistry, biology, earth sciences and engineering, and it is equipped with state-of-the-art diffraction, computing, magnetism and spectroscopy facilities. Extensive use is made of central facilities at ISIS, ESRF and APS.

[Host-guest structure] The hotel structure of Rb-IV showing host (blue) and guest (red) atoms.
Recent work in CSEC by Richard Nelmes, Malcolm McMahon and co-workers has shown that group I, II and V elements possess complex 'hotel' structures at high pressures that are unlike anything seen previously in the elements. The different electron configurations found in the elements at high pressure mean that they have a different reactivity and chemistry to those found at ambient pressure, effectively forming pressure-induced 'new' elements. Hence, the high-density complex structures are adopted by the lanthanide elements because additional orbitals are forced to participate in bonding, while modulated structures are found for Se and Te.

Ices (H2O, NH3, CH4 etc.) are being studied by Richard Nelmes, John Loveday and co-workers in order to study hydrogen bonding as a function of bond strength and geometry. Recent work by Simon Parsons, Lindsay Sawyer, Colin Pulham and co-workers has extended this work to more complex molecular systems. Amino acids have been studied extensively, with new high-pressure polymorphs of glycine, serine and cysteine being identified for the first time. High-pressure methods are now being applied (with Euan Brechin, Mark Murrie and Konstantin Kamenev) to molecular magnets with the aim of altering their magnetic properties; substantial structural changes are observed in single-molecule magnets such as Mn12-acetate. Pressure has also been shown to be effective in the search for new polymorphs of molecular materials including pharmaceuticals and energetic materials, with new methods being developed for in situ high-pressure crystallization from solutions.

[Phase transition in Bi2WO6] Ferroelectric-paraelectric phase transition in Bi2WO6 studied by Phil Lightfoot and colleagues.
St Andrews School of Chemistry is probably the best equipped in the UK for powder diffraction, with seven powder diffractometers (2 Philips, 5 Stoe). Two of these are equipped with high-temperature furnaces (and one with low T down to 80K), and these are complementary to each other, one operating in transmission, and one in reflection mode. There are around 7 research groups using these facilities, comprising more than 60 users overall. Of these main research groups, interests are in inorganic materials: batteries, fuel cells, porous solids, catalysts, ferroelectrics etc.
[Li ion conduction] Structures and Li+ conduction in PEO6:LiXF6 (X = P, As, Sb).
The new EaStCHEM Research School of Chemistry has recently been formed from the research schools at the Universities of Edinburgh and St Andrews. Chemical crystallography groups are active at both sites. At St. Andrews, Alex Slawin studies new structures related to biological or macroscopic properties (e.g. conductivity). They are studied crystallographically and with molecular modelling techniques, with a particular interest in new polymetallates, enforced distortions in disubstituted naphthalenes and rotaxanes. The ambient-pressure/low-temperature structural chemistry of small molecular systems has been investigated by Simon Parsons, recent highlights being the structures of group 13 hydride and fluoride derivatives, such as BGaH6 (with Tony Downs, Oxford) and B8F12 (with Peter Timms, Bristol), and polymorphism in pyridine (with Bill David, and Richard Ibberson and Bill Marshall at ISIS). This work also led to development of the program ROTAX, used for analysis of non-merohedral twinning.

EaStCHEM has one of the largest materials chemistry groups in the UK, with research depending on novel synthesis, theory and diffraction methods – particularly powder diffraction. Oxides with coupled properties such as ferromagnetism and ferroelectricity, frustrated magnetic networks based on triangular or Kagomelattices and photoswitchable magnetic materials are studied by Paul Attfield, Andrew Harrison and Serena Margadonna and co-workers in Edinburgh. Battery and fuel-cell technology is being developed by Peter Bruce, John Irvine and co-workers. Crystalline polymer electrolytes such as PEO6:LiAsF6 have been shown to conduct better than amorphous complexes of the same composition because lithium ions move through cylindrical tunnels formed by poly(ethylene oxide) chains. Russell Morris and his group work on porous solids, which can store gases until released by a stimulus (e.g. water), allowing the gas to be slowly released in biological systems; these systems form very small crystals, and synchrotron microcrystal X-ray diffraction is essential for obtaining structures.

Simon Parsons

Protein crystallography was established at the University of Dundee by Bill Hunter in 1996. Subsequently, junior staff Daan van Aalten and Charlie Bond joined the university. Currently, there are about 20 staff and student crystallographers working in the area of enzyme mechanism and structure-based inhibitor discovery projects with a major emphasis directed towards the biology of trypanosomatid parasites. There is a strong collaborative link with colleagues nearby at St Andrews, formalised as the Scottish Structural Proteomics Facility.

Bill Hunter

Crystallography in the West of Scotland

[Durward Cruickshank and Chick Wilson] Durward Cruickshank with Chick Wilson at the opening of the Cruickshank Laboratories in the University of Glasgow.
The West of Scotland has a long and distinguished history in the development and application of crystallographic methods. This tradition continues today, and has recently been boosted by strategic initiatives in this area, providing a comprehensive range of equipment including six single-crystal and five powder diffractometers with full temperature range capabilities, in instrument suites established in the Cruickshank Diffraction Laboratories, the Robertson Protein Crystallography Laboratory, and the Glasgow Centre for Physical Organic Chemistry.

The current capabilities in this area in the city of Glasgow include high-impact and high-profile protein crystallography (led by Neil Isaacs, Andy Freer and Adrian Lapthorn), through major exploitation of single-crystal and powder diffraction in the areas of inorganic materials (Lee Cronin, Rab Mulvey, Alan Kennedy, Justin Hargreaves, Duncan Gregory, Ed Cussen) and magnetic systems including molecular magnets (Mark Murrie, Daniel Price). Advanced studies of organic and molecular structures (Peter Skabara, Chick Wilson), hydrogen-bonded systems including multi-condition single-crystal diffraction and major use of neutron diffraction methods (Chick Wilson, Andy Parkin), charge-density studies (Louis Farrugia) and powder diffraction studies of molecular materials (Alastair Florence, Chick Wilson), including polymorphism and structure solution from powder data (Alastair Florence).

In addition to studies of a range of important materials and systems, crystallographic technique development is also healthy, with major efforts in computational crystallography for single-crystal diffraction (Louis Farrugia), in Patterson methods and advanced Fourier techniques (Chick Wilson), and maximum entropy and likelihood, electron diffraction methodologies, structure solution and advanced methods for analyzing powder diffraction patterns (Chris Gilmore). Cluster analysis methods to examine similarity in powder diffraction patterns (PolySNAP; Chris Gilmore) and in comparing structural geometries (dSNAP; Andy Parkin, Chris Gilmore, Chick Wilson) are also developed and applied. Development collaborations are also established with many of the major diffractometer and equipment manufacturers.

Chick Wilson

Crystallography in Ireland

[A trinity of rings] A Trinity of rings holding two larger rings at arms length!
Crystallography in Ireland was confined to powder diffraction work until the end of 1960s. In what now appears to be the same year in the early 1970s single-crystal work got under way both north and south of the border. John Malone in Queens Belfast and Brian Hathaway in University College Cork both did the first single-crystal work using Weissenberg photography. The first diffractometer in the north was a 3-circle system set up by Stan Cameron in the University of Ulster at Coleraine and the first diffractometer in the Republic of Ireland was also a 3-circle system set up by Christine Cardin in Trinity College Dublin. The first 4-circle diffractometer north or south was installed in NUI, Galway, in 1981 by Patrick McArdle and Des Cunningham. The second 4-circle and the first area-detector system were also installed in Galway in the 1980s.

John Malone in Queens Belfast investigates organic structures and is particularly interested in absolute configuration in molecules of biological or pharmaceutical relevance, and in weak non-covalent interactions.

The considerable investment by the government of the Republic of Ireland in scientific research in recent years has led to an expansion in the range of X-ray diffraction facilities available to Irish researchers.

[In situ reaction cell] In situ reaction cell.
Kieran Hodnett at the University of Limerick has developed in situ reaction cells which can use X-ray-diffraction to monitor dissolution and crystallization reactions. The cells have been used to obtain in-house and synchrotron data at temperatures up to 250°C at pressures up to 40 bar and in 7 molar KOH. The Bayer process for alumina purification has been studied using this cell. [J. Murray, L. Kirwan, M. Loan, B.K. Hodnett, Hydrometallurgy, 95, No. 3-4, 2009].

Martin Caffrey at the University of Limerick Centre for Membrane Structural and Functional Biology leads a group which studies proteins and lipids. The group also provides a membrane protein data bank at www.mpdb.ul.ie/.

[Rab GTPase] RabGTPase.
Amir Khan at Trinity College Dublin is working on the molecular basis for vesicle trafficking by the Rab small GTPases. The Kahn group can be contacted via their web page at www.tcd.ie/Biochemistry/research/a_khan/.
[OSCAIL screenshot] OSCAIL screenshot
Patrick McArdle at NUI, Galway, has developed the OSCAIL software package for crystallography and molecular modeling which is available from www.nuigalway.ie/cryst. OSCAIL has high-quality graphics which ranges from photo-realism to auto-movie generation. The package is currently being developed to include crystal morphology prediction and visualization.

Simon Lawrence and his collaborators at University College Cork are using targeted chemical synthesis to aid the study of pharmaceutical molecular solids. Their interests range across crystal engineering, polymorphism, novel crystalline forms, co-crystals and crystallisation processes.

[Lactose crystals]
[Ellipsoid plot of lactose] Crystals of αβ-D-lactose and the two anomers in the unit cell.
A significant development for crystallography south of the border has been the funding by Science Foundation Ireland of a research cluster which is working on the several aspects of the crystallisation process. Kieran Hodnett is the director of the Solid-State Pharmaceutical Cluster, SSPC, which includes research groups in five universities and nine pharmaceutical companies. The university research groups involved in the cluster are Kieran Hodnett (University of Limerick), Brian Glennon (University College Dublin), Owen Corrigan and Anne-Marie Healy (Trinity College Dublin), Patrick McArdle (NUI, Galway) and Simon Lawrence and Humphrey Moynihan (University College Cork). The cluster has five research themes which examine different aspects of the crystallization of pharmaceuticals and plans to graduate fifty PhDs.

The current status of crystallography in Ireland represents a wonderful change from the difficulties experienced in the past and it is reasonable to expect a bright future for crystallographers working in Ireland.

Pat McArdle

Industrial Pharmaceutical Crystallography

Crystallography at AstraZeneca

[AstraZeneca logo]
Small-molecule crystallography is an integral part of many aspects of the development of a new drug, from initial identification of a medicinally useful molecule through design and scale-up of the manufacturing process. Of particular concern are polymorphs and solvates of drugs, since formation of an undesired form, either during preparation or storage, may affect bioavailability and processability. Crystallographic expertise is distributed throughout the R&D teams at the British, Swedish and American AstraZeneca sites. Powder XRD is used in process chemistry and process engineering, as well as in the analytical depts; this enables rapid access to XRPD data to support crystallisation and isolation activities. Single crystal XRD facilities are also available.

AstraZeneca has departments called DECS (Discovery Enabling Capabilities and Sciences) which provide core facilities to their four therapeutic research areas. One of the capabilities in DECS is called global structural chemistry, which includes protein crystallography, NMR and engineering sections, and is split across three sites: two major sites in Molndal, Sweden, and Alderley Park, UK, and a crystallography operation just beginning in Boston, US. Alderley Park (AP) crystallography was established in 1992 (when the AP site was ICI) by Richard Pauptit, who now runs it as Associate Director and Principal Scientist, with Derek Ogg and Jason Breed running a team of 8 crystallographers and a team of 5 crystallisers, respectively. The section is equipped with 3 generators (micromax, FRE, Bruker FR591) and RoboHTC (Emerald-deCode) crystallation robotics. Extensive use is made of MXpress, the ESRF Fedex data-collection capability. The crystallisers share a laboratory with the researchers in protein engineering section who prepare crystallization and NMR-quality protein. The main therapeutic areas covered by the AP section are oncology, infection (including Tuberculosis with AstraZeneca Bangalore) and inflammation. The crystallography team works closely with NMR (which is principally used for screening and mode-of-action studies), enzymology and computational chemistry. AstraZeneca has been supporting crystallographic software development and relevant courses and meetings.

Pharmorphix was formed in July 2003 to provide high-quality tailored research services to the international pharmaceutical and biotech industries. In January 2005 Chris Frampton was appointed chief scientific officer. The acquisition of Pharmorphix by Sigma-Aldrich in August 2006 has proven advantageous. Combining Pharmorphix's technology with SAFC's development and manufacturing capabilities ensures that customers receive high-quality services and also benefit from extensive research capabilities and expertise. The company consists of a world-class team of scientists combining technical expertise with industrial experience. Pharmorphix has strong links with the U. of Cambridge and several major US and European biotech companies.

This extract from 50 Years of X-ray Diffraction, edited by P. P. Ewald and published in 1962, recounts the early development of crystallography in this region.

PART VI

Schools and Regional Development


[pdf icon]CHAPTER 17

British and Commonwealth Schools of Crystallography

17.1. GENERAL SURVEY by J. D. Bernal

The position of the British schools in the history of the development of our subject is necessarily quite a special one. Not only did Sir William and Sir Lawrence Bragg effectively start the study of crystalline structures by means of X-ray diffraction, but for many years their respective schools at the Royal Institution and in Manchester were the centres of world study in these fields. Naturally, important centres in other countries existed from the start and we have records of them in the succeeding chapters, but the primacy of the British schools was recognized, at the outset, by the large number of visits of young crystallographers, who were destined later to become the centres of schools of their own in other countries. Owing largely to the personal character of its founders the development of crystallography had, from the very outset, a peculiarly intimate and friendIy character. All of those who worked at the Royal Institution or in Manchester carried away for the rest of their lives recollection of the atmosphere of active and exciting research which grew up around the Braggs, and the fact that they were father and son actually helped enormously to unify the whole subject.

To attempt adequately to deal in a few pages with the growing and diversifying field of structural crystallography over a whole of fifty years would be an impossible task. What we have chosen to do is to select the two principal schools, those of the Royal Institution and Manchester University, on which we have the detailed accounts of Professor Lonsdale and Professor James, each associated from the beginning with these schooIs and contributing greatly to them, and to add a necessarily more summary sketch by Professor Bernal of the other schools in Britain and the Commonwealth which in almost every case arose directly out of them.

To do this, the most arbitrary but, at the same time, necessary simplification is to attempt to divide the period into sections. It would be very convenient to take them as the first, second, third, fourth and fifth decade, but it did not come out quite like that because of the intervention of two World Wars. So we have first a short and intensely brilliant period beginning with the work of Sir William and Sir Lawrence Bragg on the simple salts, and corresponding work by Darwin and others on the theory and corrections of X-ray diffraction by crystals. This work was, effectively, broken off by the war. The second period may be reckoned from 1919 when Sir Lawrence Bragg went to Manchester or from 1923 when Sir William started work at the Royal Institution Davy-Faraday Laboratory. It may be considered to last until about 1929 when some of the first research workers from these laboratories set out and started schools of their own, notably in Cambridge and Leeds. This leads to the third period from 1929 to the beginning of the Second World War which had a large proliferation of schools, particularly in Leeds, Birmingham, Oxford and a further development in Cambridge and many other centres, a period which, effectively, came to an end with the transference of Sir Lawrence Bragg to the Cambridge Chair after Rutherford's death in 1937. Though the second war interrupted research, the period cannot in this case be passed over as such a blank in crystallography in Britain as was the first. Some very interesting work was done on structures of various explosive compounds, and the end of the war marked one of the great triumphs of crystallo-chemical chemical research, the elucidation of the structure of penicillin. The fourth and last period we may take as that which we are now in, although it might be possible to divide it into two with the line somewhere about 1957 when the influence of electronic machines was fully felt, and where such elaborate structures as vitamin B12 marked the high-water mark of the analysis of non-protein biological structures. However, here no attempt at this division will be made and the whole of the latest or modern period will be treated as one.

Another division which is, in a sense, imposed by the nature of the subject itself, is that between the different fields of study. There has been a continuous interaction between the subjects of crystalline materials studied on the one hand, and the methods used for interpreting them on the other. This is not an attempt to give a history of either of these aspects of research in Britain-for the world as a whole they are given elsewhere in this volume. Here they can only be alluded to in passing where the particularly important landmarks occur. But the division according to fields of study follow much more closely that of the different schools with which we are concerned here.

From the very outset there was an almost tacitly agreed separation between the work of Sir William and Sir Lawrence Bragg, that is between the Royal Institution and Manchester, corresponding to that between organic and inorganic chemistry. With the one important exception of crystalline forms of silica, Sir William's laboratory occupied itself with organic crystals and Sir Lawrence's with minerals and metals. In Britain and the Commonwealth the latter two fields of interest remained linked although, in fact, they corresponded to different methods of study, the metals in particular leading to refinements in powder diffraction techniques.

As further schools developed, and largely on account of whether their leader came from London or Manchester, very much the same specializations were carried over and when we speak of the schools we generally speak of bodies of research workers occupied in elaborating some particular field of work; this was often even more specialized such, for instance, as that of Astbury, starting in the Royal Institution and going on at Leeds, which was centered on the study of fibres and particularly fibrous proteins and nucleic acids.

When we look at the actual lines of development, we see very clearly that they depended on the possibilities available to the original founder, to get the necessary support and interest in his work. Those who were successful in achieving the professorial chair in a fairly large university were able to set up large schools which proliferated into many other places. Those, on the other hand, who occupied relatively subordinate positions in physics or chemistry departments, remained, for the most part, as isolated research workers or having one or two students at a time, and though the work they did was of the highest quality, it can hardly be said that they founded a school. This is brought out very clearly also by the way in which the transfer of an individual research worker from one university to another could result not only in the setting up of a new school in the second university, but often in the disappearance of crystallography altogether from the first. What we see, accordingly, is a fluctuating pattern lit up for a few years by the presence of a research director with drive for the time of his tenure there.

As it is a young subject, we crystallographers are still in the happy position of having with us many, indeed most, of the second generation of workers and one of the first, Sir Lawrence himself. The subject is still, in Britain, in a state of rapid growth and differentiation. We can only touch here on some aspects of the spread outside the field of fundamental science, that is, into industry and government service, although, in fact, in crystallography, industry contributed many elements to the fundamental study of crystals themselves, notably in the analysis of penicillin.

One conclusion is very evident, namely, that the development of this subject was a matter in which general or conscious planning had extraordinary little to do. Only in one or two cases, notably in Cambridge, did the University, itself, decide that it must have a crystallographic department, but in most cases, crystallography occurred almost unintentionally when a Chair of Physics or Chemistry happened to be awarded to a crystallographer as the most distinguished available candidate in a field which covered all branches of the subject. The non-establishment of chairs of crystallography in Great Britain has prevented the continuity which could so easily have been ensured in view of the availability of men of quite exceptional enterprise. There is no doubt that crystallography at several stages in its development in Britain was such an attractive subject that it automatically selected such people and the fact that a relatively unknown subject could acquire, in such a short time, no less than seven Fellows of the Royal Society, is some indication of it.

In a survey like this it is clearly impossible to be comprehensive. There are literally hundreds, the actual figure is around 820, of active crystallographers in Britain and the Commonwealth today. They cannot all, or even any large portion of them, be mentioned here by name as this would reduce this report to a mere catalogue. It is inevitable that the omissions may create the impression of invidious selection but all one can do is to use one's own judgment to pick out those who seem to have been able to contribute definitely new directions to the study of the subject.

THE FIRST DECADE

In the first and glorious three years from 1912 to 1914, the study of the new-born subject, crystal structure and X-ray diffraction was necessarily limited to Cambridge and Leeds, the places where the Braggs were working, and to one other centre of vital importance, namely Manchester, in which the chair of physics was occupied by Rutherford then at his most creative time. This is the period culminating in the classic book X-rays and Crystal Structure, published in 1915. The story of this period in Manchester is briefly told in Professor James' article. It must be emphasized that the work of Moseley and Darwin not only laid the foundations for the study of X-ray spectra and the principles of X-ray diffraction, but also included what is only now realized to be the important study of crystal imperfection, involving mosaic structure and primary and secondary extinction. In addition, and quite outside the fields of crystallography, the diffraction of X-rays by crystals furnished absolutely vital elements in the building up of the Rutherford-Bohr theory of the atom. It was in this period, too, particularly in Leeds and Cambridge, that the basic equipment for X-ray analysis was developed. The ionization spectrometer, with which much of the early work was done, was a product of earlier studies of nuclear radiations, an adaptation to the use of X-rays of Bragg's former study of the ionization produced by alpha particles. The photographic method also arose from the needs of X-ray spectroscopy as used by Moseley.

One other figure belongs to this early period and that is the veteran of crystallography, Professor Owen of Bangor, who in Richmond in 1913 started the study of metal structures in Britain which he subsequently carried out at Bangor. There was an even earlier influence, emanating from Edinburgh with Barkla, who had carried out the pioneer absorption measurements which had distinguished the K-, L- and M-levels of X-radiation. Unfortunately, his attachment to the non-existent J-radiation prevented him in his later days from making a serious contribution to the new diffraction crystallography. But some of his students started schools of their own, notably R. T. Dunbar at Cardiff.

THE SECOND DECADE

After the end of the First World War, that is, effectively in 1919 when Sir Lawrence Bragg took up his chair at Manchester to which he had been appointed in 1915, a new start was made and the corresponding transfer of Sir William, first to University College in 1919 and then to the Royal Institution in 1923, ensured the foundations by the beginning of the twenties of powerful new schools of structure analysis who set themselves to the essential task of working out the basic types of structure of solid substances, beginning very rationally with the simplest, the elements and simple salts. It is astonishing to think that, in fact, by putting together the pre-war and immediate post-war work, all the major types of structures known to us now had been studied in at least one example and essentially the right structures attributed to them. Most of the work in this decade is reported on here in the sections of Mrs. Lonsdale and Professor James because at that time the Royal Institution and Manchester schools effectively dominated structural studies in Britain. There were, however, important other elements which were just coming into play at this time. The old schools of crystallography of Oxford and Cambridge were still in vigorous life and it was owing to the inspiration of Dr. (and later Professor) Hutchinson at Cambridge and Professor Bowman and Dr. Barker at Oxford that the new methods were introduced. Dr. Wooster at Cambridge and Mr. Powell at Oxford were, in fact, the first X-ray crystallographers who had not been trained in the Manchester or Royal Institution schools. Another new school appeared at Bristol in the work of Dr. Piper on long-chain compounds which was to link up with those of Müller and Shearer at the Royal Institution and lead to the first effective break-through into the study of organic chemistry by X-ray methods.

The study of X-ray spectra was carried on with the original inspiration of Barkla by Professor Dunbar at Cardiff, followed by Professor Robinson. The corresponding study of absorption spectra with their implications on the theory of metals was particularly studied by Dr. Skinner at Bristol. However, it must be admitted that comparatively Britain has contributed little to the study of X-ray spectra.

THE THIRD DECADE

The years 1927-29 were to see the dispersal of the original schools and the start of the new ones. Bernal went to Cambridge, Astbury to Leeds, and Cox to Birmingham. The middle of the thirties was to see powerful schools of crystallography set up in Cambridge, Oxford, Leeds, Birmingham, Liverpool and Bristol. Something can now be said about the individual character of these different schools.

Cambridge

The Cambridge school, in accordance with its tradition, for Bernal had been trained in classical crystallography by Professor Hutchinson, occupied itself with extensive studies in different fields of crystallography, both inorganic, including metals, and organic. From 1933 onwards the emphasis was on the organic side, corresponding to a division of the school between the Cavendish Laboratory on the one hand and the new Mineralogical Laboratory, which under W. A. Wooster devoted itself very largely to crystal physics and to the development of X-ray equipment and accurate intensity measurement. The study of metals in Cambridge, after a systematic start by Bernal, lapsed until it was again taken up by W. H. Taylor in the subsequent decade, but work went on very actively in the fields of inorganic compounds following the stimulus of the new Goldschmidt views of crystal chemistry and particularly in the study of water and hydroxyl compounds with Dr. Megaw. Here the link with the Cavendish was emphasized in the paper by Fowler and Bernal in 1933 on the structure of water and ionic compounds. This work was to form the structural basis for the understanding of hydroxides and hydrogen bonds.

At the same time in close connection with the Biochemical Laboratory of Professor Hopkins, work was started, first on amino acids and then on the sterols. There, owing to what was effectively a happy chance of being able to discover, by X-rays in the first place, the correct carbon skeleton of the sterols, Bernal was able to unify the structure of these important bodies which were then of particular interest in connection with vitamins and sex hormones. It was at this point that Miss D. Crowfoot (Mrs. Hodgkin) joined the laboratory and immediately became involved in both extensive and intensive structure work on the sterol compounds which was to lead later on to her great achievements in other organic fields. In 1934 the first successful photographs were taken of protein single-crystals due to a tactical break-through of examining them in the wet state. Miss Crowfoot continued her work with insulin in Oxford and the continuation of the sterol work was taken over by I. Fankuchen who had joined the laboratory from Manchester and originated from the United States. In 1937 Max Perutz came to the laboratory from Mark's laboratory in Vienna and started the studies of the haemoglobin systems which have now become classic. In 1936 another break-through was made in the examination of the structure of crystalline and paracrystalline viruses, in the first place of tobacco mosaic virus prepared by Bawden and Pirie. This led, in the first stages, to the use of very small angle scattering in order to elucidate the intermolecular structures of the liquid crystal aggregates formed in these viruses and incidentally to an understanding of long-range forces between colloidal molecules in solutes. The significance of the high-angle reflections which indicated something of the internal structure was, however, not worked out until much later, largely by Miss Franklin. Fankuchen also continued this work with Bernal after the latter's transfer in 1938 to the Chair of Physics at Birkbeck College, London, for the few months that elapsed before the beginning of the Second World War. During the same period Professor Ewald left Germany and joined the crystallographic laboratory where his influence was very large, incidentally, in setting up the discussion group known as the Space Group.

Oxford

Unlike the other schools mentioned, where the initiative had primarily come from physicists, in Oxford the impetus for crystal studies was that of chemical crystallography originating with Myers and with Barker who had been a friend of Fedorov. X-ray studies began with the appointment in 1929 of Mr. H. M. Powell as demonstrator of chemical crystallography. Powell's earlier work was largely with coordination complexes. The further developments of his work and his discovery and study of clathrate compounds followed naturally from this. His first student was Miss Crowfoot who worked with him on a thallium metal complex. She returned from Cambridge to the department in 1934 and went on there with her work on the analysis of complex organic compounds of the sterol type, particularly the structure of cholesterol iodide with Dr. Carlisle, while following her studies of insulin and lactoglobulin. Powell continued, now with A. F. Wells, on the structure of further complex compounds including the carbonyls and phosphorus pentachloride; the latter was proved to be an ionic compound in the solid state.

An entirely independent research section at Oxford was that of Metallurgy which was taken over by Hume-Rothery following on the work of the Swedish school and of Bradley. This led to the interpretation of the so-called alloy phase systems, particularly of the A and B group metals, which he has continued with his students ever since. The Hume-Rothery rules, which laid the foundation for the idea of electron compounds, were the first fruit of his work.

Birmingham

The beginning of modern crystallography at Birmingham came with the invitation in 1929 by Professor Howarth for Cox from the Royal Institution to set up a study of the constitution of the sugars. This problem, with the methods of the time, proved too difficult and Cox very wisely elected to apply an indirect approach and, with the help of Goodwin and Llewellyn, worked out the structure of pentaerythritol which was to turn out to have the most interesting physico-crystallographic properties. It was also an early example of three-dimensional Fourier analysis of an organic crystal structure. At the same time, he studied the structure of ascorbic acid - vitamin C - as well as glucosamine hydrochloride, the first optically active organic substance whose structure was determined by X-ray analysis alone using the ionic replacement method. Through this he established the stereochemistry of the pyranose rings in sugars. A number of inorganic coordination compounds were also studied. At this time Birmingham was one of the most fertile centres of X-ray analysis but most of this activity was switched to Leeds when Cox became the Professor of Inorganic Chemistry there in 1945.

Leeds

Already in the thirties, however, Leeds had become an important centre of structural studies with, in the first place, a bias towards those of biological origin and particularly of fibres. Very appropriately, Astbury had been invited to a lectureship in textile physics and immediately started his classical work on wool and other fibrous substances. Beginning in 1929, he established the fundamental character of the alpha-(coiled) and beta-(straight) configurations of wool and showed that they could be extended to cover most types of protein fibres, though collagen represented an exception. This new type of analysis brought X-ray crystallography for the first time in contact with the morphological and histological aspects of biology. Hitherto it had been limited to the biochemical aspects.

Another line of research opened in Leeds when in 1935 G. W. Brindley joined the Chemistry Department. There he developed accurate powder photography and developed the appropriate cameras, laying the foundation for future work on the structure of clay minerals which he was to continue in the next decade.

Liverpool

A small school existed at Liverpool consisting of Lipson and Beevers as mentioned in Professor James' article. Until they moved to Manchester in 1936 their work on the structure of salts might be considered as a part of that school.

Bristol

The crystallographic school at Bristol, under S. H. Piper, remained during this period an active but highly specialized one concerned, very largely, with the study of fatty acids and waxes of natural origin and their derivatives, ketones, secondary alcohols and other constituents.

Commonwealth Schools

The decade of the thirties also saw the beginning of X-ray work, generally inspired from the older centres, in India with Banerjee in Calcutta, and Krishnan at Bangalore, where a very interesting field of relations between the structure and the magnetic properties of crystals was first explored. It began then, too, in Canada with Barnes at Montreal and in South Africa with Professor James at Cape Town.

 

This completes a rapid survey of the major schools of crystallographic research in Britain and the Commonwealth in the decade before the war. It was a period of extremely happy activity over rapidly broadening fields. To sum up, the effect was to establish the approximate structures of most types of crystalline materials with a degree of accuracy and refinement which, though it would naturally not now be considered adequate, was quite sufficient in those pioneer days for establishing some of the major features of molecules, particularly in the organic field, and of the ways of linking them together. The concept of hydrogen bonding added to those of Van der Waals, and ionic linkage also appeared. At the same time the major structural types of the inorganic world, the fibrous and platy silicates, were worked out and a beginning made in the understanding of the rules of compound formation in the far more complex field of alloy structures. Effectively, this marked the creation of two new subjects, mineral chemistry and alloy chemistry, as rational disciplines, a task that had proved impossible and would probably have long continued to be so without crystal analysis.

17.2. CRYSTALLOGRAPHY IN BRITAIN DURING AND AFTER WORLD WAR II by J. D. Bernal

Unlike the period of the First World War which marked a virtual cessation of structural crystallographic studies in Britain, the Second World War was one of considerable if limited activity closely linked with the needs of the war itself. It was marked by the greatest triumph of crystallographic technique that had yet occurred, namely, the elucidation, essentially by X-ray crystallographic methods, of the structure of penicillin. The story cannot be told here, but this achievement is a remarkable instance of the way in which research can be pushed forward if it is led by workers of genius backed by keen young collaborators. The molecule of penicillin was one of peculiar intractability by purely chemical means on account of its thiazolidine-β lactam ring system, so that knowledge of the molecular structure was essentially gained by X-ray analysis. Though the ultimate objective, a simple non-biological synthesis of penicillin, was not achieved until 1958, this is no reflection on the methods of analysis the results of which the final synthesis fully justified. The work is of interest from another point of view, as an example of fruitful co-operative research. Two groups, at Oxford and at the Northwich Division of the I.C.I., led by Dorothy Hodgkin and Bunn respectively working closely together on different varieties of crystals, were able to supplement each other's work. It was a magnificent start to a new era in crystallography.

These are not the only achievements of war-time crystallography. Some very interesting analyses of explosive substances were carried out under Cox at Leeds, leading to the understanding of the structures of nitrate groups and strong acids; and everywhere crystallographic methods were used for general auxiliary and identification purposes as well as in the study of metals and alloys. Everything was ready for a new burst of activity as soon as the war was over. However, there was one tragic loss, that of one of the founders of the subject. Sir William Bragg, who was still in his full mental vigour, and actively directing the Royal Institution laboratories died in January 1942. His last researches dealt with the pioneer field of the non-Bragg or diffuse reflections of X-rays. With him passed the first generation of X-ray crystallography, but fortunately his son, as inseparably linked with the original discovery, is still with us.

POST-WAR PERIOD, 1946-1962

After the end of the war, the expected new start of crystallographic research exceeded all expectations. War service released an augmented band of crystallographers including part of the second and now the beginning of the third generation of crystallographers, those taught by Bragg and those taught by his immediate pupils. All the old schools of crystallography renewed and multiplied their activities and new ones were founded in practically every university in England, Scotland and Wales.

During the war period and to an increasing extent after it, Britain had ceased to be the rather isolated centre of structural research and became part of an ever closer linked international exchange of persons and problems and materials. The formal side of this, the foundation of the International Union of Crystallography, is accounted for in another chapter, but here it can be said that world crystallography had grown, not only in extent, but in intimacy of cooperation during the whole period.

The characteristic of post-war work in crystallography in Britain has been the enormous increase, both in scope and in quality of the work, brought about by the new problems and the new methods. The much more critical understanding of the methods of diffraction analysis, though they contain few radically new principles, has made it possible to tackle crystals with molecules of enormous complexity up to the proteins and to a certain degree of far larger molecules like those of the viruses. At the same time it also has enabled much more precise information on structures to be obtained of crystals with relatively small molecules. These later developments would have been impossible without the increasing use of ever faster electronic machines, beginning effectively in 1957, and this latter period might even be called the first computer age of crystallography.

At the same time, the developments in theories of chemistry have given a much greater importance to the precise knowledge of structures, and the developments of theoretical chemistry in the hands of such pioneers as Coulson, Dunitz and Orgel have led to a new link between crystallography and organic as well as inorganic chemistry, including the intermediate field of organic metallic complexes.

A definite break into new ground came with the realization that the methods of diffraction could be applied with precision to structures without three-dimensional lattices, using in the place of the methods of Fourier analyses those of Bessel functions. This development was called for in the first place through the study of protein fibres but it was rapidly extended and deepened in the analysis of viruses and other irregular structures such as those of liquids. This was to lead to one of the greatest triumphs of crystallography in the biological field, the structures of nucleic acids, of which the pioneering work had been done long before by Astbury.

Cambridge

The transfer of Sir Lawrence Bragg from Manchester to Cambridge had occurred too shortly before the war to make a notable impact there until after the war but then crystallographic work began with redoubled vigour. The main strength of the Manchester school was soon effectively transferred to Cambridge where two closely linked groups of research workers grew up in the post-war years. One of these, representing a fusion between the Bragg and the Bernal schools there, developed the studies on organic crystals and proteins. On the other, the inorganic side, W. H. Taylor took over in 1945 the direction of the main laboratory and continued his work mainly on metal structures. In the atmosphere of Cambridge, the metallographic side of the work developed in new directions. P. B. Hirsch, in particular, used micro X-ray beam methods to study dislocations and also imperfect crystallization in close connection with the electron microscope developments which were going on there under Cosslett. Thus, the earlier Cambridge work of G. I. Taylor and Elam on metal deformation was blended with that of W. L. Bragg at Manchester. With Miss Megaw transferred from the Birkbeck team, they continued the work on silicate structures but particularly on the most intractable of the types of rock mineral structure, those of the felspars and, also, of hydrated calcium silicate compounds connected with cement, following up the work which was also being carried on by H. F. W. Taylor at Birkbeck. Miss Megaw has also, through her studies of the titanates, made notable contributions to the theories of ferroelectricity.

During the same period, the possibility of the use of electronic computing machines increased and the advantages of Cambridge were manifest in the brilliant work of Cochran in developing precise methods of crystal analysis applied in the first place to organic crystals but of perfectly general applicability. It was largely Cochran, in his very critical approach to crystal structure work, who raised the standard of over-all accuracy and in particular of bond length determinations by something like a factor of ten, but at the same time inevitably increased the amount of work that had to be done to determine the crystal structure properly. This, effectively, led to a division of the subject between rough analyses useful to the chemist from the point of view of determination of the main lines of structure, to the precise analysis now being required to check studies of theoretical chemistry.

Sir Lawrence Bragg, on moving to Cambridge, had taken over not only his own metal and silicate school, but the organic and biomolecular school which had been built up in Cambridge by Bernal. This, however, remained somewhat separate from the other group, partly for administrative reasons because it had acquired the support of the Medical Research Council; Perutz's researches on haemoglobins were continued on an ever expanding scale. Soon after the war, he was joined by Kendrew and a number of other fellow workers and between them they carried out the magnificent and ultimately successful attack on the structure of the haemoglobin and myoglobin crystals which were to result in the first strictly X-ray analysis of a protein structure. This, however, was not to be the only triumph of the school because, at the same time, one of the protein workers, Francis Crick together with Watson in the United States, put forward the hypothesis of the double spiral structure of nucleic acids, which was later to prove the clue to a fundamental understanding of biological structure and function, including the effective action of viruses, and a material explanation of genetic processes. The development itself is an example of international cooperation, the final proof by more careful X-ray analysis being left to another school, that of King's College in London with the work of Wilkins, Goodwin and Miss Franklin.

Another branch of crystallographic work at Cambridge was in the department of Mineralogy where Dr. W. A. Wooster continued to direct the only undergraduate courses on Crystallography given in Britain. His own researches now concentrated on the quantitative study of diffuse X-ray reflections, from which to determine elastic constants of crystals. This led, in conjunction with the work of Laval, to criticism of the long established theories of the relations of crystal elasticity to symmetry.

The London Schools

The Royal Institution.

When in 1954 Professor Bragg retired from the Cavendish Chair at Cambridge, and moved to the Directorship of the Royal Institution which his father had held for many years, he carried with him in close cooperation with the Cambridge school some of the study of the proteins related to haemoglobin, and, as co-workers Dr. Green and Miss Scouloudi who had been attached to the Birkbeck school. Dr. Arndt at the new Royal Institution school has developed also very powerful X-ray tubes essential for the study of the most complicated proteins and viruses.

Birkbeck College.

J. D. Bernal came to occupy the Physics Chair at Birkbeck College too shortly before the war for it to have had much effect at the time. The physical destruction of the college in the London raids resulted in a delay in setting up work again after the war. However, by 1947 a new school of crystallography had definitely been established in some ruined houses and was being gradually expanded in the years that followed. Postgraduate classes in Crystallography were started in Birkbeck in 1949 on a London intercollegiate basis. In research Birkbeck took over effectively part of the work of the Cambridge school with one important addition. Thanks to a grant from the Nuffield Foundation it was possible to set up a biomolecular unit concentrating largely on the structure of proteins and viruses.

Other organic structures were studied such as those of terpenes. More important, however, was the study of pyrimidene by Parry and of the nucleoside, cytosine, by the Norwegian research worker, Furberg, who was able to show that the planes of the pyrimidene molecules were arranged at right angles to the rings of the pentose sugars. This provided the essential clue for the idea of a helical structure of nucleic acid.

In the protein field, C. H. Carlisle concentrated mainly on the structure of the enzyme ribonuclease which was to prove a much more difficult problem for technical and structural reasons than was expected or was that of the haemoglobins. However, it seems to be approaching a definite conclusion.

The virus work hung fire for longer until it was taken up with great energy and success by the late Miss Franklin who was able to demonstrate, following the initial hypothesis of Watson, that the virus molecule possesses a helical structure, though not one corresponding to a single molecular chain, but rather to an aggregate of identical protein molecules, inside which are twined the molecules of ribosenucleic acid. The major success was the determination of the position of the ribosenucleic acid as a single helix in among the protein molecules forming the protective tube of the virus. In further work on the spherical viruses which was started just after the war with studies of bushy stunt and turnip yellow virus, A. Klug was able to prove that these, according to the hypothesis of Watson and Crick, consisted of polyhedral aggregates with the uncrystallographic symmetry of fivefold units. At this point the studies by X-rays became blended with those by the electron microscope.

The other field of research was initially of an industrial character but it led to very interesting scientific results. It was to determine the structure of cement and its hydration product, concrete. These studies were carried out largely by J. W. Jeffery, H. F. W. Taylor and their co-workers. They developed an ingenious combination of analysis of fine-grained products produced industrially, with structural studies of slow grown natural crystals of the same material. It turned out that the main hydration product of cement was an extremely rare hydrated silicate mineral called tobormorite whose structure was ultimately determined by Miss Megaw, one of the original members of the team who was later transfered to Cambridge. This work extended out to the discovery of a completely new series of silicate structures both unhydrated and hydrated, based on more complicated rhythms than the simple alternation which Sir Lawrence Bragg had found in the predominantly magnesium silicates of the pyroxene types, opening a new chapter in silicate crystal chemistry. The major work for this was that of Mrs. Dornberger, one of the original Birkbeck group, and later of her collaborators in Berlin, especially Liebau, and also of Belov and Mamedov in the Soviet Union.

It was about the same time that A. L. Mackay joined the Birkbeck group and opened up, with D. R. Das Gupta, a study on iron oxides and hydroxides using the new methods of electron microscopy and diffraction developed by Grudemo and Gard. In this way they elucidated a hitherto extremely confused chapter of inorganic chemistry. Through the magnetic properties of these compounds, this research was brought into connection with new studies of paleogeomagnetism which Professor Blackett was directing from Imperial College.

Professor Bernal, in the later years, has returned to his earlier interest in the structure of water and simple liquids by generalizing the model of a liquid to one formed by a random aggregate of spheres in contact. This he has been able to relate to the X-ray diffraction from regular to irregular structures.

King's College.

Professor J. T. Randall, whose fame has been associated with the development of branches of physics, essential for the military successes in the war - luminescent materials and the magnetron valve - opened his new laboratory at King's College with a concentration on a very different field, that of biomolecular studies. Apart from the development of the electron microscope for these purposes, which does not come precisely into our field of concern, M. H. F. Wilkins began there with the study by X-rays of natural polymers with helical structure. One of these was the anomalous structural protein collagen, further studied by Miss Cowan and then by Ramachandran in Madras. Another was the vastly more important structure of the nucleic acids where Wilkins and his school, basing themselves on the Crick and Watson hypothesis, were able to verify the double helical structure and to produce the remarkable models which showed how this structure depended on the fit of a number of very closely packed groups of purines and sugars. The work of Randall and Wilkins definitely established biomolecular studies as a discipline of their own and, as a result, part of the new institute of biophysics attached to King's College is devoted entirely to this study.

University College.*


* See section 17.6 for the earlier work at University College, London.

The revival of X-ray studies at University College came in 1946 when Kathleen Lonsdale, later Dame Kathleen Lonsdale, moved from her long held position at the Royal Institution to become Professor of Chemistry in the Department of Crystallography. This was particularly important from the point of view of teaching and research. In teaching for the first few years, she joined in an Intercollegiate Course which had been organized at Birkbeck College, and took part in the formation of the first generation of London students of crystallography. In her research she followed original lines, lying more in the development of crystal physics than crystal structure analysis. Some very interesting work was done by Dr. P. G. Owston on ice which much improved our knowledge of this really very complicated substance with special reference to the H positions. Professor Lonsdale's own chief contribution was to the study of the thermal vibrations of crystals. This was now becoming essential for structural analysis because refinement had reached such a stage that the movement of the atoms could no longer be neglected. However, she used this to study still further the peculiar anomalies in scattering in directions outside those predicted by Bragg's Law and which correspond to various irregularities, either intrinsic or thermally induced. She also continued her interest in the magnetic properties of crystals, linking them more quantitatively with the structure. 

A separate school of work was on the subject of refinements in the structure of diamonds, now including artificial diamonds, carried out in conjunction with Miss Judith Grenville Wells (later Mrs. Milledge). The high standard of precision and of criticism in all this work puts it in the forefront of world crystal physical studies.

Professor Lonsdale's school at University College has always had a particularly strong international character. Students from no less than twenty different countries, in all five continents of the world, studied there the methods she had developed and later several of them, having returned to their countries, were to found their own schools. Close association with Egypt and India were particularly fruitful.

Imperial College.

Important crystal structural work started in Imperial College with the appointment in 1957 of A. R. Ubbelohde as Professor in the Department of Chemical Engineering and Technology. He continued there the work he had already started in the Royal Institution and added to it with the assistance of Dr. G. S. Parry. His particular interest lay in crystal transformations with temperature and the detailed study of phase changes, thermal expansion and molecular movement. This led to a further understanding of the nature of some thermodynamic transformations in solid systems which are not, as was previously thought, necessarily of a higher order but may depend on the linking and mutual strain of two forms above and below the transformation temperature. These studies necessitated the development of a number of X-ray cameras to be used at different temperature ranges, much extending the armoury of such instruments.

Oxford

The three main divisions of the Oxford school continued under the same direction that they had enjoyed before the war. Organic crystallography with particular reference to natural products was developed by Mrs. Hodgkin. Dr. Powell continued and extended his study of coordination and clathrates while Dr. Hume Rothery systematically extended his metal and alloy studies.

Mrs. Hodgkin and her team, in close cooperation with others in America, particularly with K. Trueblood and J. G. White, carried out successfully the determination of the structure of the most complex molecule known at the time. It was one of extreme biological interest, the anti-factor for pernicious anaemia, so-called vitamin B12. This analysis has become a classic. This is partly on account of the interest of the structure itself, which is an extremely complex unit including both proteinoid and neucleotide elements with a central reduced porphyrinoid group containing cobalt, and linked in a most unexpected way. But the analysis was also of great significance on account of the elaborate and critically accurate methods applied. Great use was made of machines in America and in Britain (Manchester, Leeds and National Physical Laboratory). Ninety-three atoms not counting Hydrogens were placed one by one ending in 1959 with the positioning of all the twenty-two water molecules in the structure. The method of analysis so successfully used was one which gave great hope to other crystal analysts, yet there was hardly any structure short of the proteins that could not be tackled by strictly crystallographic methods, that is by methods which did not involve any chemical assumptions. The results of such analysis are already of value to chemists and are likely to be of increasing use to them in the future. It seems extremely unlikely that the structure of vitamin B12 could ever have been discovered by purely chemical methods. The structure of penicillin might have been, but was not actually done in time. But with vitamin B12 the difficulties of the analysis were proving too great with the older methods. It would be wrong, however, to oppose X-ray to traditional chemical analysis. The two must work closely together especially on the most difficult cases. For instance, in the process of X-ray analysis of B12 studies were made of a number of its chemical derivatives which assisted very much in arriving at the final structure.

In 1960 Dr. Hodgkin was chosen as special Wolfson Research Professor of the Royal Society.

Dr. H. M. Powell, now Reader in Chemical Crystallography, continued to devote himself more particularly to the structure of molecular compounds. A certain number of straightforward molecular compounds, addition compounds such as those of aromatic polynitro compounds and other aromatic substances, had been studied just before the war. The real break-through came with the study of clathrate compounds particularly those formed by quinols in which Powell and Palin were able to show the way in which the smaller in general non-polar molecules are caught in a kind of basket in which the meshes consist of hydrogen bonded molecules. This includes even such normally completely unreactive molecules as the atoms of the rare gases. Powell's chemical interests led him further into the discovery of a new type of clathrate compound where the optical activity resides in the structure and not in the optical activity of the resulting molecules. Clathrates formed of this type which are analogous to those of right or left quartz or of benzil, have naturally a way of separating the right- and left-handed forms of smaller molecular species and thus are, in a sense, defying Pasteur's principle that optical antipodes can only be separated by substances derived from living structures including, as in his classical separation of optically active crystals by hand of 1849, the living structure of Pasteur himself. In the case, however, tri-o-thymotide Powell was able to show that it is possible to separate a mixture of optical antipodes by methods involving neither biological products nor human intelligence, though the formation of the particular right-or left-handedness of the original clathrate crystal still depends on chance. Further work now going on is dealing with examples of ligands attached to particular inorganic ions. The laboratories of both Professor Powell and Mrs. Hodgkin were for a long time housed in the old Ruskin Natural History Museum in Oxford but since 1960 they have been moved to well-fitted and new laboratories in the chemical wing.

Dr. Hume Rothery and his school have continued their work on alloy systems of increasing range and complexity with the idea of arriving at a really quantitative alloy crystal chemistry. The later development of the studies has linked up the straightforward phase and structures analysis to the new considerations of dislocations, in particular to the immediate field of stacking faults and the study of the industrially enormously important martensitic transformations.

Leeds

In Leeds, after the war, the major lines of work of the vigorous Birmingham school previously described, were added to those already existing of Astbury's fibre structure work and of Brindley's studies on clays. The appointment of Dr. E. G. Cox to the Chair of Inorganic and Physical Chemistry in 1945, gave him opportunities to set up an even larger school than at Birmingham and the value of this has been proved by the work coming from it. Cox set himself essentially to study organic compounds of a relatively simple kind and to determine their structures with a very high level of accuracy. In this respect he and Robertson divided the field between them. While J. M. Robertson in Glasgow concentrated on aromatic compounds, Cox mostly concerned himself with aliphatic. With J. W. Jeffery he started the study of terpenes and other compounds related to isoprene. The structure of geranylamine hydrochloride is a landmark in structure analysis bringing out particularly the aspect of the variable heat motion of a chain attached at one end. The addition of D. W. J. Cruickshank to the team led to the introduction of rigour in the calculation which has helped very much in determining accurate bond lengths. Coordination compounds of stereochemical interest have been studied and further development of carbohydrates is under way.

This school has been particularly fertile in developing, not only physical methods of examination, but also machines of an analogue or digital type; particular use was made of low-temperature methods to reduce the effect of thermal vibration and it is largely due to the Leeds school that three-dimensional analysis in Britain became almost de rigueur.

G. W. Brindley's work was, as already indicated, mainly concerned with clays but in the years after the war he developed this method further and was one of the leaders of the world study of clay minerals and their various streaks of hydration.

After the war, Astbury's laboratory, whose interests were turning more and more biological, was transferred from the textile physics department to a newly created one of biomolecular structures. Here he widened the scope of his studies from X-rays to electron microscopy and infra-red spectroscopy and extended it further to cover other groups of compounds, especially a group of fibrous proteins which had hitherto not been adequately recognized, the so-called crossed β structures and also the highly orientated natural protein structures, including such unusual things as the egg-case of the prying mantis or the peduncle of the egg of the lace wing fly. It was clear that before his last illness he was on the way to a kind of structural natural history of proteins which he was admirably suited to pursue.

Glasgow

The rise of Glasgow to being one of the major schools of crystallography followed the transfer of Dr. J. M. Robertson to the Chair of Chemistry. His stay at Sheffield, 1939-41, had been too short to enable him to set up a viable school there. One of the major achievements of the school is in its teaching capacity, for it has taken in people from many different parts of the world and the students have gone out to found other research laboratories very widely, including one in Europe, Dunitz in Zürich. Robertson had already established his special competence in the study of aromatic substances and particularly condensed ring compounds. He continued new refinements of these to meet the needs of theoretical chemists but went further to observe a number of related compounds of essentially aromatic character or of terpenoid character such as limonin, cedrelone and calycanthine. These are magnificent examples of the use of X-ray analysis for solving problems which are extremely difficult for purely chemical methods and Robertson's knowledge of chemistry as well as of crystallography stood him in good stead. He also gave an account of rings of unusual numbers, particularly those of azunine and tropolone. It was largely due to Robertson's work that the idea of using X-ray crystal analysis has now spread widely in chemical circles and problems calling for them are very often sent to him or his students.

Manchester

In the University of Manchester physics department, the crystallographic work did not long survive the removal of W. L. Bragg to Cambridge where a number of his research workers joined him. However, one of them, H. Lipson was appointed Professor of Physics at the Manchester College of Science and Technology where he had been preceded by W. H. Taylor. He was soon able to set up there a small school of crystallography which was well able to carry on the Bragg tradition. He interested himself mainly in the methods of crystal analysis based on Fourier transforms and developed very beautiful optical representations which made the first stages of the analysis of many organic crystals almost an intuitive process. In this he was assisted by Dr. C. A. Taylor and others while Dr. M. M. Woolfson interested himself more in direct methods of analysis.

Bristol

The work of Piper on hydrocarbons, already mentioned, has been extended to artificial polymer hydrocarbons by Keller and has thus linked the work with that carried out in connection with the dislocation of crystal growth studies initiated by Professor Frank and the expression of his theory of spiral crystallization of substances. It is here, also, that the greatest concentration of work in connection with the physical properties, both electrical and magnetic, of ferro-electrics and ferro- and polar magnetics is being carried out. Resonance studies are fitted in with more precise knowledge of crystal structure of coordination complexes.

Cardiff

At Cardiff, under Prof. A. J. C. Wilson, another school of organic crystal chemistry has grown up, here concentrating on the alkaloids such as ephedrine and harmine, and on a number of terpinoids such as longifolene. The research of Mr. Hine into amino acid derivatives led to the first determination of the stereoconfiguration of an optically active sulphur atom. Cardiff has thus become one of the leading schools of the refinement in organic crystal structure analysis. At the same time, much has been added to the theory, beginning with Wilson's enormously valuable method of determining the presence or absence of the centre of symmetry by the statistics of intensities, and a critical appreciation of the value of analysis of crystals both perfect and imperfect. Most recently, Professor Wilson has entered the field of precise X-ray pattern determination in connection with the A.S.T.M. index and has raised the standard of accuracy of powder patterns to make them a far more precise method of identification than they had been hitherto.

Edinburgh

The transfer to Edinburgh of Dr. C. A. Beevers, who had already put crystallographers in his debt by his contribution to the Beevers and Lipson strips, started a school of crystallography there remarkable for its attack on the really difficult organic structures, those of strychnine and sucrose sodium bromide. It was here that Cochran, already mentioned, first started his X-ray work. Now the emphasis is still on sugars and their derivatives and alkaloids. Work is also being done on inorganic salts, particularly on the phosphates and sulphates.

Further British University Schools

Crystallographic work in Belfast was initiated by Professor Ubbelohde before he transferred to London in 1957 and, as already indicated, dealt largely with the study of crystal transformations, isotope effects and thermal vibrations. Miss Woodward, one of the original Royal Institution research workers, has particularly studied the whole range of transformations of single crystals of potassium nitrate. Though not directly concerned with analysis, the stay of P. P. Ewald in Belfast strengthened the interest there in crystallography especially on the optical and theoretical side.

Since the departure of Cox and Llewellyn, from Birmingham crystallographic work has not been on a very large scale but of admirable quality. Dr. R. W. H. Small's work on the effects of hydrogen bonds in sugars and other compounds was done here.

In Dundee, a small but flourishing school under Dr. J. Iball has concentrated on a group of important hydrocarbons of aromatic character closely associated with carcinogenic properties beginning with kerosine and 3,4 benzpyrene. The emphasis is on accurate determinations capable of explaining properties by anomalies in bond distances.

At Newcastle (Durham University), Dr. H. P. Stadler has been working on problems of interest to the properties and transformations of coal substances, particularly high complex fused ring hydrocarbons and their derivatives. Work in the other parts of the University at Durham is being carried out by H. M. M. Shearer, especially on organometallic compounds,

Three new schools of crystallographic research deserve special mention. At Keele, North Staffordshire, the new University started in 1954 an X-ray crystallographic unit and Dr. S. C. Nyburg has been carrying out very interesting studies on inter-relations of organic structures which he has described in his book Organic Crystal Chemistry.

At Aberdeen, H. F. W. Taylor, who transferred from Birkbeck in 1953, has continued work on silicates but made a welcome new approach by the use of a combination of electron microscopy and X-ray diffraction. Dr. Gard, who works with him in this field, has achieved the first analysis of X-ray structures by this method carried out in Britain. It was essentially a Russian and Swedish study hitherto (Pinsker, Vainshtein and Grudemo).

A school of crystallography at Nottingham was set up in 1949 by Dr. Wallwork, formerly with Powell at Oxford. Its interests are in organic molecular complexes and anhydrous metal nitrates.

It can be seen that in practically every University in Great Britain, some research work in crystallography is being done and a certain amount of teaching is carried out. However, only in Cambridge for undergraduates and in Birkbeck College, London, for the M.Sc. degree, is the study entirely specialized. Elsewhere it is part of the general chemistry, physics or geology courses.

17.3. POST-WAR COMMONWEALTH DEVELOPMENT by J. D. Bernal

Canada

The main centre for X-ray diffraction is in Ottawa at the National Research Council under Dr. W. H. Barnes (organic and inorganic structures) and Dr. W. B. Pearson (metals). Active research centres exist, however, at some of the Universities in the Departments of Geology and Chemistry. Of singular interest is the work done on neutron diffraction at the Chalk River reactor which, for many years, gave the highest neutron flux of all reactors. Considering the wealth of ores and wood, and the well developed metallurgical, pulp, and other industries, it is not astonishing that they have introduced X-ray analysis, even though on a very cautious scale.

South Africa

Largely under the influence of Professor R. W. James, an interesting school of X-ray analysis was started in the early forties in the University of Cape Town. He, himself, completed there the second volume of The Crystalline State, that dealing with the principles of X-ray optics and diffraction.

The principal interest of the Cape Town School in which Dr. and Mrs. Saunder have been most prominent, has been in the structure of aromatic molecules and molecular compounds using three-dimensional methods and extending the analyses to cover cases of molecular disorder. It was here, also, that Dr. Klug began his studies on the use of Fourier transforms in crystal analysis, a study that has stood him in good stead in his later work on viruses.

Australia and New Zealand

The record of Oceania in post-war crystallography has been a distinguished one. An important and autonomous school of crystal analysis has been formed in Melbourne in the Division of Chemical Physics of the Commonwealth Scientific and Industrial Research Organisation (C.S.I.R.O.) under Dr. A. L. G. Rees. Here X-ray analysis is being combined with the development of electron microscopy and electron diffraction. The principal interest of the group directed by Dr. J. M. Cowley is the development of experimental techniques and the theoretical basis of the subject. In particular, methods have been developed for the structure analysis of submicroscopic crystals from single-crystal patterns obtained by using electron microprobe techniques, and a new formulation for the theory of electron diffraction and microscopy has been evolved.

In the X-ray group Dr. A. McL. Mathieson with Dr. J. Fridrichsons has carried out many structure analyses of moderately large molecules (20 to 50 atoms in asymmetric unit) including plant alkaloids and peptides, incorporating developments of low temperature, heavy atom and generalized projection methods. Dr. B. Dawson has concentrated on the super-refinement of more simple structure and the accurate theoretical and experimental determination of atomic scattering factors and their modification by ionization and bonding.

This school has already made its mark internationally particularly in generating new ideas and methods.

In another section of C.S.I.R.O., that of Tribophysics, work is directed by Dr. W. Boas, formerly one of the Berlin Dahlem group which laid the foundation of structural metal physics. The interest of present work here is largely directed towards the study of crystal defects and plasticity as affecting metals and to surface phenomena of catalyst crystals studied by electron diffraction and electron microscopy.

There has been a very interesting beginning of organic structural studies in the University of West Australia under Professor Birkett Clews and Dr. Marsden which has now been concentrated in Government laboratories. In Sydney H. C. Freeman, who received his training at the California Institute of Technology, is building up a school for organic structure analysis at the University of Sydney. Interesting structural work and research on metal textures is being carried out at two departments of the University of New South Wales.

The school of crystallography in New Zealand was initiated by Professor F. J. Llewellyn, formerly at Birmingham, at the University of Auckland in 1948. It has been largely concerned with the structure of nitrogenous organic compounds. After his resignation in 1956 it has been carried on by Dr. D. Hall. In 1954 another school has been set up under the direction of Dr. B. R. Penfold at the University of Canterbury working on inorganic crystals.

India

At the Indian Association for the Cultivation of Science, Calcutta, Professor Banerjee's school has continued and extended its work in post-war years. The main interest has now turned to the study of thermal diffuse reflections from organic crystals, as studied by R. K. Sen, S. C. Chakraborty and R. C. Srivastava in relation to the elastic constants. Studies have also been carried out by G. B. Mitra on coals and B. K. Banerjee on glass.

At the Indian Institute of Science, Bangalore, under the direction of R. S. Krishnan, work on diffuse reflections of X-rays has also continued. With G. N. Ramachandran detailed studies on properties of diamond have been made including thermal expansion and relation of mosaicity and luminescence. Studies have been carried out on coordination compounds and on complex organic crystal analysis, where several new methods have been developed including low-temperature and anomalous dispersion techniques, especially in the work of G. Kartha and S. Ramaseshan.

One of the most important contributions of the Indian school has been the analysis of the structure of collagen as a three strand twined polypeptide, carried out by G. N. Ramachandran at the National Institute for Leather Research at Madras.

17.4. RESEARCH IN NON-INDUSTRIAL LABORATORIES OUTSIDE THE UNIVERSITIES AND THE ROYAL INSTITUTION by J. D. Bernal

Although there are no institutes where a large part of the work is devoted to X-ray crystallography, valuable work and new initiatives have come in the field of crystallography from several governmental and independent institutions, ancillary to their main objectives. These can be classified, in general, according to the nature of the work. Those at the National Physical Laboratory and the Atomic Energy Research Establishment at Harwell have been concerned very largely with problems of metals, while those at the British Museum of Natural History, the Building Research Station, the Agricultural Research Stations at Rothamsted and Aberdeen, and the Safety in Mines Research Establishment in Sheffield have been mainly concerned with studies in minerals, the last three particularly with clays. In the National Institute for Medical Research and to a certain extent at Harwell, organic substances have been the centre of interest.

National Physical Laboratory

The contribution of the National Physical Laboratory began at the very outset of structural crystallography with the work of Dr. (afterwards Professor) E. A. Owen, of the Physics Division who, in 1923 and 1924, started the study of metal structures by the X-ray powder methods. These were among the first studies in metals by X-rays to be carried out anywhere. Afterwards he was joined by Dr. G. D. Preston and together they developed further some of the most interesting studies of age hardening and precipitation processes in copper aluminium alloys, which were eventually to culminate in the demonstration of the existence of minute copper-rich regions in an aluminium matrix. These precipitations, the Guinier-Preston Zones, coincided with the onset of hardening. Preston was also a pioneer in the use of precision parameter measurements. In 1926, the Laboratory started a section on the application of X-ray methods to industrial research, some original members being H. M. M. Shearer, W. A. Wood and J. Thewlis.

Their main work was on phenomena concerned with the deformation of metals as well as the brittle fracture characteristics of iron. The value of this work was recognized in effect by the setting up of X-ray laboratories in many of the most important industrial firms so that the particular section was wound up after the Second World War and the whole of the X-ray work concentrated in the metallurgy division. Since the war the work has been continued on precipitation and binding processes but there has been also a considerable development of X-ray techniques particularly in the direction of precision measurement.

Atomic Energy Research Establishment, Harwell

The work here is of two kinds, firstly that dealing with metals and other solids connected with the processes of atomic energy generation and secondly the use of neutrons for structural studies. The former part of the work concerns the properties of graphite, particularly very pure graphite, and studies, in particular by Kahn and Thewlis, on textural properties such as preferred orientation. Not only graphite itself but its reaction with other substances such as sodium, were examined and boron nitride was proved to have a different structure from graphite. Work has also been done on irradiation damage to crystal structure of these and simpler substances.

X-ray work has further dealt with the structure of compounds concerned with the trans-uranic and related fissile elements, such as the thorium halides, selenides and tellurides. Much work has been done on the properties of uranium and plutonium from the point of view of their metallurgical handling.

The important new contribution of Harwell to crystallographic studies has been the use of neutron diffraction which was started by G. E. Bacon and his co-workers in 1942. It is the only school of neutron crystallography in Britain. Bacon has concentrated on two kinds of problems for which neutron diffraction is especially suitable, the location of hydrogen atoms and the orientation of atomic magnets in compounds of transition elements. Starting with the ferro-electric KH2PO4, he was able to show that the hydrogen atoms in the hydrogen bond are not symmetrically placed and can be switched over to another oxygen atom by reversing the electric field. The bent nature of the hydrogen bond has, furthermore, been established in hydrated salts and acids. The location of C-H bonds has been used to study thermal motions of molecules in crystals.

In the magnetic field, studies of spinels have been used to elucidate ferromagnetic and anti-ferromagnetic states where neutrons with their own magnetic moment can detect differences inaccessible to X-rays. A beginning has also been made in the study of inelastic scattering of neutrons where exchange of energy takes place between the neutrons and the acoustic and magnetic-spin waves in the crystal.

Building Research Station

The main work of the Building Research Station, which began with that of Dr. G. E. Bessey in 1930, was the study of structures of aluminates and silicates of interest to cement chemistry. This work has been continued by Drs. H. G. Midgley, E. Aruja and M. H. Roberts in close conjunction with work on similar silicates carried out at Birkbeck College. One complete structure, that of dicalcium silicate was worked out and the cell dimensions and characteristics of a large number of the silicates and aluminates have been determined, such as chlorites and serpentines.

The most interesting development has been the use of X-rays in the study of silicate and aluminate materials at high temperatures, and in the preparation of phase diagrams with F. M. Lea, T. W. Parker, R. Nurse and J. H. Welch. Most recently, a new form of high-temperature single-crystal X-ray camera was developed capable of giving X-ray pictures at up to 1800°C. Much work was also done on the development of quantitative determination of phase by X-ray methods.

Macaulay Institute for Soil Research, Aberdeen

This has been a pioneer in the study of clay minerals which have formed part of the survey of soils for Scotland. In 1939 Dr. D. M. C. MacEwan started there his series of studies on the identification of clay minerals by the absorption of glycerol ethylene glycol which is the basis of all modern clay analyses.

Dr. G. F. Walker has studied the structure of vermiculite and other soil constituents including the materials derived from the weathering of rock minerals. X-ray methods have been devised for separately assessing the quantities of the different clay minerals in a sample, and this is used in conjunction with other methods such as differential thermal analysis.

The Macaulay Institute has become one of the leading world centres of X-ray studies of clay minerals and has established X-rays as one of the major tools in pedological research.

Rothamsted Experimental Station, Harpenden

Pioneer work on X-ray studies of clay structures were initiated by G. Nagelschmidt in 1934. His work dealt with the structure, lattice shrinkage and structural formulas of the montmorillonite group of minerals, the clay mineralogy of soils and sediments, and methods of investigation of clay fractions. From 1945 to 1958, D. M. C. MacEwan continued the work he had started at the Macaulay Institute, Aberdeen, on the absorption and complex formation between organic molecules, particularly alcohols, and the minerals montmorillonite and halloysite. MacEwan in collaboration with G. Brown also worked on the interpretation of diffraction patterns from clays consisting of interstratified layers of different kinds. This work has been followed up by their co-worker R. Greene-Kelly and O. Talibudeen. G. Brown located the exchangeable cations in the glycerol-montmorillonite complex by one-dimensional Fourier syntheses. More recently he has applied single crystal X-ray methods to the study of weathering products. Here he has shown that a large number of soil mineral 'crystals' are actually topotactic mixtures of interstratified decomposition compounds.

Safety in Mines Research Establishment

The X-ray group, under the direction of Dr. Nagelschmidt, Dr. R. L. Gordon and now Dr. C. Casswell, has been mainly concerned with studies of the minerals in coal mine dust causing pneumoconiosis. This has led to the development of quantitative methods of analysis. A special study has been made of the disturbed surface layers on ground quartz.

The Medical Research Council

The Medical Research Council has for many years supported crystallographic research through its various External Research Units. The work of these units, however, was mainly concerned with macromolecules and in 1951 a small crystallographic laboratory was established at the National Institute for Medical Research, Mill Hill, London, under the direction of Mrs. O. Kennard. The laboratory has been engaged in research into Chemistry, Biochemistry and Biophysics and with applied research like Biological Standardization. X-ray diffraction methods have been adopted as routine techniques in these fields for identification, molecular weight determination and physical characterization in a variety of problems ranging from the identification of the thyroid hormone, triiodothyronine, after its first isolation by R. Pitt-Rivers and J. Gross, to the diagnostic use of X-ray powder patterns in cystinosis. X-ray analytical work has been concentrated on organic compounds of moderate complexity, of which the structure of vitamin A acetate and the three-dimensional analysis of some steroidal sapogenins are examples, and to problems of bonding forces, as in the work on the structure of amidinium carboxylates. During the course of this work some new auxiliary techniques have been developed including a method of determining integrated intensities by the use of radioactive markers.

The laboratory has also been concerned with crystallographic documentation work and was responsible for the data on organic compounds in various compilations including the Tables of Interatomic Distances in Molecules and Ions and the projected second edition of Crystal Data.

17.5. CRYSTALLOGRAPHY IN BRITISH INDUSTRIAL LABORATORIES by C. W. Bunn

The great harvest of knowledge of crystal structure resulting from the fundamental discoveries of von Laue and W. H. and W. L. Bragg began to flow freely in the decade 1920-30, chiefly from the Royal Institution under the guidance of W. H. Bragg, and Manchester University where W. L. Bragg was professor; and it was natural that under this stimulus crystallographic methods, especially X-ray diffraction methods, were soon taken up in industrial and government laboratories and used either for direct practical applications or for studying the crystal structures of materials used in various technologies. The simplest of the practical applications was the use of powder photographs for identification, for it was evident from the work of Debye and Scherrer that the X-ray diffraction pattern of a powdered crystalline material is an unrivalled 'fingerprint' of identity; it was soon used to settle many questions of identity which had not yielded to chemical methods or the older crystallographic methods (optical or morphological) owing to the opacity or submicroscopic size of the crystals. But in addition to this empirical application, more sophisticated methods such as the study of crystal orientation in metal sheets and wires, the estimation of crystal size and distortion from broadened diffraction effects, and the study of atomic structure wherever it was felt that the knowledge was relevant, began to appear in non-academic laboratories.

One of the earliest organizations in the field was the General Electric Company, where F. S. Goucher at the Wembley Laboratories was studying the orientation of crystals in tungsten filaments by X-ray diffraction methods as early as 1923, and J. W. Ryde identified the crystals responsible for the scattering of light in certain opal glasses in 1926. H. P. Rooksby, who took part in some of this early work, has since then applied these methods to a great variety of problems. From 1930 onwards, with J. T. Randall, he made valuable contributions to our knowledge of the structure of glasses and liquids, and concluded that locally the atomic arrangement in these non-crystalline substances is similar to that found in crystals of the same substances. Other applications for which Rooksby was responsible, either alone or with others, range from the identification and quantitative analysis of refractory materials and thermionic cathode coatings to studies of the structures of ferromagnetic and antiferromagnetic crystals and luminescent materials, and metallurgical problems of lattice distortion and crystal orientation. This activity at the G.E.C. continues unabated.

In Imperial Chemical Industries, the first X-ray crystallography was done in the laboratories of Nobel Division at Stevenston in Ayrshire by F. D. Miles, who had worked for a time in Sir William Bragg's group at the Royal Institution. Before 1930 he had followed the course of the nitration of cellulose fibres and studied the structure of cellulose trinitrate; later, he reported the crystallography of lead azide and other sensitive materials used as detonators. He also studied habit modification by dissolved impurities - a subject taken up again much later (1947-9) by J. Whetstone, with practical results in the control of the caking of ammonium nitrate. At Alkali Division at Northwich in Cheshire, C. W. Bunn, who had worked there on crystal growth problems and petrological methods of identification of inorganic substances since 1927, started using X-ray diffraction methods in 1933, first of all for identification but later for structure determination. Long-standing problems of inorganic chemistry which were cleared up by the use of X-ray powder photographs included the question of the constitution of the chlorinated lime product known as 'bleaching powder', the identity of the variously coloured precipitated iron oxide pigments, and the constitution of boiler scales, cements and plasters. The discovery of polythene there in 1933 led to an X-ray determination of its structure, and this started a series of similar investigations (with E. V. Garner and A. Turner-Jones) on other crystalline polymers such as rubber and related substances, and polyamides and polyesters. Meanwhile, other crystallographic work included further studies (with H. Emmett) of crystal growth from solution (the role of layer formation, surface structure and concentration gradients), the development (by H. S. Peiser) of the method of estimation of the degree of crystallinity in polymers which has since become one of the main technological applications of X-ray diffraction in the polymer field, contributions to methods of interpretation of X-ray diffraction patterns, and the determination of the crystal structure of sodium benzylpenicillin (Bunn and Turner-Jones) which together with the work on the potassium and rubidium salts at Oxford (Hodgkin and Rogers-Low), settled the chemical oonstitution of that substance. The work on polymers was continued later (from 1946 on) at Plastics Division at Welwyn Garden City in Hertfordshire by Bunn, R. de P. Daubeny, D. R. Holmes and A. Turner-Jones; X-ray methods are used for characterizing new polymers, estimating crystallinity, studying crystal orientation in films and fibres, and for structure determination ('terylene', polyvinyl alcohol, nylon 6, polyisobutene, polytetrafluoroethylene) as far as the pressure of practical affairs permits. Similar work is now done also at Fibres Division at Harrogate in Yorkshire, and at British Nylon Spinners at Pontypool.

During and after the war of 1939-45, X-ray crystallographic work was started in several other I.C.I. laboratories. At Metals Division in Birmingham, T. Ll. Richards studied crystal orientation in rolled metal sheets. At Dyestuffs Division in Manchester, A. F. Wells, who in earlier years solved several structures of inorganic and metal-organic compounds in various University laboratories, found time amidst the pressure of practical problems to develop a systematic treatment of network structures (those held together by localized directed bonds, as opposed to 'packing' structures where local directional effects are less important), while C. J. Brown and others concentrated on the structures of organic compounds much used in the Dyestuffs industry, such as aniline hydrochloride, p-aminophenol and acetanilide. At the Akers Laboratories at Welwyn in Hertfordshire, P. G. Owston and others, by solving several metal-organic structures, have played an important part in the development of the chemical studies of such substances by J. Chatt's group. At General Chemicals Division at Widnes in Lancashire, and Billingham Division at Stockton-on-Tees in Co. Durham, both X-ray diffraction and X-ray spectrographic methods are used for identification and quantitative analysis - as indeed they are in many chemical laboratories in other organizations.

The development of the use of X-ray diffraction methods in the metallurgical, electrical and other industries in the North of England in the 'thirties owed a good deal to the encouragement of W. L. Bragg when he was Professor in Manchester, and to the existence of the group in his laboratory working on metallurgical problems under A. J. Bradley. A. H. Jay, who first worked on powder-camera design with Bradley, later applied powder methods to a variety of problems involving metals, alloys and refractory materials in the United Steel Companies laboratory at Stocksbridge. Others who made similar contributions were C. Sykes at Metropolitan-Vickers in Manchester, H. J. Goldschmidt at William Jessop and Sons Limited in Sheffield, and J. A. Darbyshire at Ferranti Limited in Manchester. Since that time the methods have been taken up in many laboratories, too numerous to mention individually. Most of this work is never published: it uses established methods and knowledge in order to fulfil its function in practical affairs, and makes a valuable contribution without necessarily revealing anything fundamentally new. Moreover, background studies of crystal structure can only be undertaken when the pressure of practical affairs is not too great; notable contributions of this sort were made by E. J. W. Whittaker (Ferodo Limited, Chapel-en-le-Frith, Cheshire) in his studies of the structure of chrysotile and the theory of diffraction by cylindrical lattices, and by V. Vand (Unilever Limited, Port Sunlight, Cheshire), who determined the structures of several organic chain compounds, discovered in a potassium soap a new type in which the chains are crossed, and contributed to the methods of interpretation of diffraction patterns.

Natural textile fibres like cotton, wool and silk, which were shown, very early in the history of X-ray diffraction, to contain oriented crystalline arrangements of molecules, offer good opportunities for both structure studies and technological applications. Much of the early work on the structures was done in academic laboratories - by Mark and Meyer and others on the continent and by Astbury in this country. X-ray methods were introduced at the Shirley Institute at Manchester in the early 'thirties by Dr. Pelton, who had worked under W. H. Bragg at the Royal Institution. They were at first used for technological problems, such as in the study of crystal orientation in cotton and its relation to the physical properties, but later on, more fundamental structural studies of cellulose and its derivatives and silk fibroin were undertaken by J. O. Warwicker and others. The British Rayon Research Association at Manchester also made contributions in this field. In the laboratories of Courtauld's Limited, the group led by C. H. Bamford at Maidenhead, together with L. Brown at Coventry, have made very valuable contributions to our knowledge of the structure of the synthetic polypeptides, while C. Robinson discovered a very remarkable new type of liquid crystal structure in solutions of one of these substances.

The use of crystallographic methods in industry continues to grow. The extent and value of the work are not to be judged by the volume of published work, large though this is, for the majority of the work done is unpublished. Although a substantial amount of fundamental structure work has been done in industrial and government laboratories, and although new facts and phenomena are sometimes discovered and reported, the justification of the use of these methods in industry lies in the direct technological applications, such as identification and analysis, and the correlation of crystal size, orientation and texture with the properties of materials. Scientific discoveries and advances in fundamental understanding can and do come out of industrial research, but they are not usually regarded as primary objectives.

17.6. EARLY WORK AT UNIVERSITY COLLEGE, LONDON, 1915-1923 by Dame Kathleen Lonsdale

W. H. Bragg was appointed Quain Professor of Physics in 1915, but did not take up his duties fully until the end of World War I. Then he began to gather around him a group of young physicists which included:

I. Backhurst, who studied thermal vibration effect on intensity, using the ionization spectrometer with diamond, graphite, aluminium and designed a Hg high-vacuum pump; and G. Shearer and A. Muller, who respectively developed home-made hot-wire and self-rectifying gas tubes for photographic studies of long-chain compounds. For this purpose they used foot-operated fore-vacuum pumps, home-made high-vacuum pumps and induction coils, and Wehnelt interrupters - constructed out of aluminium hot-water bottles.

W. T. Astbury joined the team in 1921 and used the ionization spectrometer, complete with Mo Coolidge tube (air-cooled), lead box, gold-leaf electroscope, Ruhmkorff coil with Hg interrupter, and metronome (to time the rate at which the crystal was rotated through a reflecting position). He was fascinated by the problem of the optical activity of tartaric acid. His training in chemistry enabled him to understand better, probably, than any of the other workers the potentialities of the X-ray method of structure analysis in respect of the light it might throw on both physical and chemical problems of the solid state. His personality and enthusiasm led to the liveliest discussions in the laboratory and over joint meals, about everybody's research studies, crystallographic problems in general, politics, religion and almost everything under the sun.

Other workers in the UCL Physics department forty years ago included R. E. Gibbs (who studied the structure of quartz, with W.H.B.), W. G. Plummer (preliminary investigation of C6Cl6 and C6Br6, an isomorphous pair, by the photographic technique) and K. Yardley, who began the study of succinic acid and simultaneously the application of space-group theory to structure analysis. Thomas Lonsdale, to whom she was married five years later, also worked in the laboratory, but on the elastic properties of metal wires, under Professor Porter, whose main interests were in the phenomena of radiation and convection. (One of his more original lectures was entitled 'Why the Daddy-long-legs doesn't wear Stockings'!)

During this period W. H. Bragg himself worked mainly on the structures of anthracene, naphthalene and naphthalene derivatives. He noted that the difference in length of the c axis of anthracene and naphthalene, whose a, b axes and β angles were very similar, was about equal to the diameter of a six-membered carbon ring in the structure of diamond (which had been fully worked out) or in graphite (which had not, but the unit-cell dimensions and the fact that it was a layer-structure were known). From this he deduced the general dimensions and positions of the anthracene and naphthalene molecules, although he wrongly assumed the benzene nuclei to be 'puckered'; and the assumed orientation of the molecular normals in the (001) planes was not correct.

It is interesting, however, to note that he initiated the studies of isostructural series both of aromatic and of aliphatic compounds (long-chain paraffins, fatty acids, esters, alcohols, ketones, etc.) and was aware of the value of the isomorphous + heavy atom technique. Indeed in a paper on the structures of NaCl, KCl, KBr and KI (Proc. Roy. Soc. A89, 468, 1913) W. L. Bragg had written:

'By noticing what differences were caused in the photograph by the substitution of heavier for lighter atoms in the crystal, a definite arrangement was decided on as that of the diffracting points of the crystalline grating.'

It was this that led to the examination of C6Cl6 and C6Br6 by W. G. Plummer and later to a study of the substituted ethanes by K. Yardley. Neither study was successful, however, at that time!

When W. H. Bragg moved to the Royal Institution in June 1923 he took most of this team with him, and for a time Professor Porter was head of the department. The Quain chair was held from 1928 onwards by E. N. da C. Andrade, whose main interest was in the mechanical properties of solids, especially metals, and in epitaxial growth, and who used X-ray techniques as an auxiliary tool.

17.7. CRYSTALLOGRAPHY AT THE ROYAL INSTITUTION by Dame Kathleen Lonsdale

While Sir William Bragg was Quain Professor of Physics at University College, London, he gave a Friday Evening Royal Institution Discourse (19 May 1922) on 'The Structure of Organic Molecules'. In it he discussed naphthalene, anthracene, α- and β-naphthol and acenaphthene, all substances that he was then engaged in studying by means of X-ray diffraction, and he compared them with diamond and graphite, (although at that time it was not known that the graphite layers were plane) and showed that in all of them six-membered carbon rings were present. He had already invited to work with him at University College a group of young people, most of whom he took with him to the Royal Institution when, in June 1923, perhaps as the result of this lecture and of the course of Christmas lectures he gave in 1919, he went there to succeed Sir James Dewar as Director of the Davy-Faraday Laboratories and Fullerian Professor of Chemistry.

The Royal Institution, founded in 1799 by Benjamin Thompson, Count Rumford, had housed a succession of famous men such as Thomas Young, Humphrey Davy, Michael Faraday, John Tyndall and James Dewar, and the lectures delivered within its walls had covered almost every new discovery in science as well as a wide range of other subjects. Almost a century later (in 1896) the Davy-Faraday Laboratory, formerly a private house with many rooms, both large and small, had been added, by the munificence of Dr. Ludwig Mond, to provide wider opportunities for research to men and women of any race or nationality. The historic laboratories in the Royal Institution had not been open to women; the early 19th century records plainly suggest that they would be expected to be only a nuisance there. On the other hand they had always been cordially invited to attend the Royal Institution Lectures; it would, as Thomas Young gracefully put it, be an alternative to their 'insipid consumption of superfluous time'. And their subscriptions were needed to maintain the Institution in the style to which it was accustomed.

W. H. Bragg included three women among the twelve research workers whom he had gathered around him by the autumn of 1923.* He found the Davy-Faraday Laboratory almost moribund. He made it not only into a lively international school of research but also into a centre to which famous men of science gravitated naturally when they were in London. As one of the Davy-Faraday research workers wrote to me recently: 'the triple appeal of laboratory, library and lectures was an inspiration. My main impressions were of the happy family atmosphere with formality in the background; the casual way world figures appeared at tea-break; the loose organization … ; the dearth of mathematical texts marking the emphasis on experimental science.'


* W. T. Astbury, J. D. Bernal, R. E. Gibbs, L. C. Jackson, Miss I. E. Knaggs, Miss G. Mocatta, A. Muller, W. G. Plummer, G. Shearer, C. H. Weiss, J. F. Wood and Miss K. Yardley. In all, 12 of the 70 workers admitted before 1940 were women.

In spite of his mathematical background Sir William Bragg was indeed an experimentalist. He did encourage his students to study mathematical crystallography, but it was in order to apply it, not as an end in itself. He was keenly interested in the discussions that went on in the laboratory concerning the extent to which the molecular symmetry was used in the building of crystal symmetry. The results of these discussions had been partly summarized in what were called 'Shearer's Rules', which expressed the empirical fact that up to that time no structure had been found in which the 'asymmetric unit' contained more than one molecule, although it was sometimes a submultiple of the molecule. Sir William was not so keen on the idea of tabulating all the symmetry properties of the 230 space groups and their implications in terms of diffraction theory. He felt that this savoured of mathematical perfectionism and that it was simpler and more realistic to examine each case as it occurred in the course of research. (In later days he never became wholly reconciled to the use of reciprocal space; and preferred a more complicated but, as he felt, more realistic picture of what was actually happening to the X-ray beam within the crystal.) But he allowed himself to be convinced that the Astbury-Yardley Tables were worth publishing and then he convinced the Royal Society that they were worth the considerable expense involved in having the 230 diagrams professionally re-drawn for publication. It was one of the few Philosophical Transactions publications that had to be reprinted.

Those of us who worked with W. H. Bragg in the Davy-Faraday Laboratory got the impression that we were allowed to choose and develop our own research themes entirely independently. Sir William certainly never dictated; and he expected his team (later classified in the D.F. records as 'Research Assistants' who were in receipt of an annually renewed salary and 'Research Workers' who were of independent means or in receipt of supporting grants) to have original ideas and to develop them independently. But, looking back, it is possible to see that in fact he directed the research by means of silken reins that were hardly felt but were very effective.

To begin with, it was understood that we would choose some problem connected with organic structures. Apart perhaps from quartz, which had interested Sir William since 1914, the inorganic world was left to the Manchester school under his son, W. L. Bragg. Then he guided the general trend of research by injecting, from time to time, a new worker having a different background and outlook. Miss Knaggs, for example, had worked with Professors Pope and Hutchinson at Cambridge and brought with her the ideas of the importance of valency and spatial considerations in determining structures and a wide knowledge of mineralogical and optical methods. J. M. Robertson was first and foremost a chemist, whereas the earlier workers all had a background of training in physics; Miss Woodward was a mathematician; and A. R. Ubbelohde, who has described himself as the Benjamin of the family, was interested primarily in the thermodynamical problems of crystals. But the principal way in which Sir William guided us without our really being aware of it was by asking us to help him with the preparation of lectures. He had a habit of taking subjects of research in the D.F. Laboratory, thinking about them, looking up related papers, talking about them to visitors and then lecturing about them so clearly that the research worker engaged on the problem became aware of all sorts of possibilities that he had somehow overlooked before. Early in 1926 Sir William gave an afternoon course of R.I. lectures on 'The Imperfect Crystallization of Common Things', which was repeated with additions in the autumn. He asked W. T. Astbury to assist him in the preparation of this lecture by taking X-ray photographs of natural fibres, such as were being taken at the Kaiser-Wilhelm-Institut für Faserstoffchemie. This Astbury did with such thoroughness that he became interested in the field and when an opening occurred in Leeds for an X-ray physicist to study textile fibres, W. H. Bragg persuaded Astbury to go. He needed a good deal of persuasion; none of the workers in the D.F. Laboratory ever wanted to go. The salaries there were not particularly good, but the atmosphere was so pleasant that the idea of staying on indefinitely was most alluring. But if Sir William thought that one of his people was ready to take more responsibility and if a suitable job presented itself, he pretty well pushed them out.

It really was astonishing that he should have had such vigour, for although we affectionately called him 'the old man' none of us really thought of him as old. He was still publishing vigorously when in his 80th year, and seemed to have the mind of a young man, able to take a keen interest in such a new phenomenon as the diffuse scattering of X-rays due to thermal vibrations.

When I look back at the early days at the Davy-Faraday Laboratory disconnected memories come to the surface. We had plenty of time for discussion. It was not possible to sit all day long with one eye glued to a microscope taking readings of the movements of a gold leaf, although quite a lot of our time was spent this way. From time to time our Hg interrupters had to be thoroughly cleaned out, a filthy job; but we could do it and talk simultaneously. Several of us brought sandwiches and lunched together in a room on the premises and then played table tennis in the basement afterwards. Within a year or two we could put on international tournaments: France was represented by C. H. Weiss (study of alloys) and later by M. Mathieu and M. J. H. Ponte (scattering factor of the carbon atom) ; Holland by W. G. Burgers (study of i-erythritol and other crystals too complicated to solve then); the Soviet Union by Boris Orelkin (preliminary study of 1,3,5-triphenylbenzene). W. T. Astbury (who was universally known as 'Bill' and who insisted on calling everyone else - including me - 'Bill' also) was the life and soul of these table tennis sessions and introduced various hazards, such as matchboxes at strategic points on the table, to make them more exciting. Most of us were pretty good.

Tea-time at 4 p.m. was something not to be missed. To begin with, W. H. Bragg was nearly always there and there were generally Bourbon biscuits too. And all sorts of interesting visitors turned up. Some of them were Friday Evening lecturers come to prepare the experiments for their discourses. It might be Sir Ernest (afterwards Lord) Rutherford, about to talk on the 'Life History of an α-particle from Radium' or on the 'Nucleus of the Atom'; J. H. Jeans on 'The Origin of the Solar System'; H. E. Armstrong on the 'Scientific work of Sir James Dewar'; G. Elliott Smith on the 'Human Brain' or Lord Rayleigh on the 'Glow of Phosphorus' or Charles Darwin on 'Recent Developments in Magnetism'; Sir William Pope on 'Faraday as a Chemist' or Sir J. J. Thomson on 'Radiation from Electric Discharges'. Or sometimes there were rich business men from whom Sir William was busy extracting money for the D.F. Laboratory. One I particularly remember was one of Sir William's own past students who was quite disturbed that Sir William's talents were being wasted in such a dead-end, poorly-rewarded job when he might be making top money, as he himself had done.

From time to time there were open days, or 'conversaziones', at the Royal Institution (as there still are), and these involved the construction of illustrative charts and models which we had to be prepared to discuss with experts and laymen alike. (One old lady asked Sir William why his naphthalene model didn't smell like mothballs?) Or Sir William would himself bring an eminent visitor round the laboratory. One visit that has remained in my memory was that of Sir Alfred Yarrow, who had endowed some attractive research fellowships. He propounded a theory that brilliant men inherited their intellect on the maternal side and asked Sir William what he knew about his mother's people? Sir William, looking slightly embarrassed, said all he knew was that they had something to do with the Church. Sir Alfred went on, rather inconsistently, to deplore the fact that young women scientists were apt to leave their professions in order to get married and was taken aback when I asked where his intelligent mothers would come from if only those with no professions were allowed to marry?

The Royal Institution library was well-stocked with books (although not on the mathematical side, as has already been remarked) and especially with periodicals. It was thrilling occasionally to open a very early back number of, say, the Phil. Trans. Roy. Soc., and find that Faraday had made some comment in the margin, and even more thrilling to meet an aged member of the R.I. (Mr. William Stone) who remembered, as a small boy, sitting next to Faraday and talking to him, in the gallery of the R.I. Lecture Theatre, during some Christmas Lectures. Much of the early historical apparatus, both research and demonstration, was also kept in the Royal Institution, and occasionally one could find, in bottles that had not been disturbed for many years, simply enormous single crystals that had grown very very slowly by sublimation on to the walls. When work was begun on the magnetic anisotropy of crystals these were exceedingly useful, because the use of large crystals minimized the effect of the suspension.

It would be impossible to mention apparatus and crystals without speaking of Mr. Jenkinson and Mr. Smith. Mr. Jenkinson we called 'Jenk' in our irreverent moments when he was not there but never when he was, whereas 'Smithy' was so-called to his face and liked it. Mr. Jenkinson had come from University College with Sir William and was a superb instrument maker. He made the ionization spectrometers and gold-leaf electroscopes (but we put on our own gold leaf if we could, although he would show us how to, the first time). He made the ionization chambers (but we filled them) and had an assistant (who for many years now has been head of his own crystallographic instrument workshop) who helped to make the huge lead-covered box that housed both the Coolidge tube and the electric fan used to cool it. What exotic radiations we used: Mo, Rh, Pd, as a rule! Even with the fan, the anticathode would get white-hot after a short time of running. Our one fear was lest we should become so mesmerized with taking readings of the movements of the gold-leaf to the sound of the metronome by our side that we would forget to look down the collimator to see the colour of the massive target before it sagged. While the tube cooled off, we recorded our measurements and interpreted them. We ran the Coolidge tube with an induction coil and the aforesaid Hg interrupter, with a condenser in parallel. In the secondary circuit there were a milliameter and a spark-gap. The latter was set so that we got both a visible and an audible signal if the voltage rose above the 60 KV which was the normal running condition. These stood, with a battery of accumulators that gave us the voltage for our ionization chamber, on a small insulated table just at the side of the lead box. By stretching out our hand we could just touch it. We had to remember not to. I am not the only worker whose hair has stood permanently on end, more or less, ever since.

Smithy was the laboratory steward, but he was much more than that. He was skilful with his hands and could make the Pyrex high-vacuum pumps, originally designed by I. Backhurst at University College, better than anyone else. If we could not find the leaks in the gas tubes used for photographic work (that gradually replaced the ionization method), Smithy would help us. Later he took entire charge of the maintenance and running of the 5 kW tube and could design all kinds of auxiliary equipment for special purposes; and when Drs. Müller and Clay were both absent through illness he ran and repaired the 50 kW equipment also. The 2 metre diameter spectrometer and 50 kW tube used in combination gave really good resolution, but the outfit was not foolproof enough to become standard equipment.

Mr. Green, the lecture assistant in the Royal Institution, was also very helpful with ideas if asked, but although workers in the D.F. Laboratory were permitted, by grace, to use the R.I. library, they were not expected to make themselves too free of R.I. facilities unless they became Members of the Royal Institution, which not all of them could afford to do. It paid off very well if one could, but in those days the 5 guinea entrance fee and 5 guinea annual subscription seemed a terrible lot of money. Sir William was sometimes called in to soothe old gentlemen snoozing in the upper library who complained that the young D.F. workers had disturbed them by walking through. He was excellent at soothing. I doubt, however, whether even he could have soothed the indignant passer-by who brought in from Albemarle Street the pieces of a steel file that had been hurled out of a third-floor window by the irritable worker in whose hands it had broken.

Mention has been made of the international character of the Davy-Faraday research school. Apart from those already mentioned, there were Miss N.C.B. Allen (Australia), A. L. Patterson (Canada), C. C. Murdock (U.S.A.), M. Prasad (India), W. H. Barnes (Canada), W. P. Jesse (U.S.A.), Miss T. C. Marwick (New Zealand), D. O. Sproule (Canada), Miss B. Karlik (Austria), A. A. Lebedeff (U.S.S.R.), F. Halle (Germany), N. Japolsky (U.S.S.R.), K. Banerjee (India), Miss L. W. Pickett (U.S.A.) and E. Pohland (Germany), who had come, in that order, before the end of 1932.

In 1933-5 several refugee scientists from Nazi Germany found a welcome in the D.F. laboratories: R. Eisenschitz, G. Nagelschmidt, A. Schallamach, A. Lowenbein. Then in 1938-9 came W. Boas (Germany and Australia), J. J. de Lange (Holland), L. O. Brockway (U.S.A.) and J. Monvoisin (France).

Most of these have since become heads of departments or of institutions, in various parts of the world.

The same is true, of course, of the British workers, although by now some of them have retired or died. Five* of the twenty-four pre-1930 vintage have become Fellows of the Royal Society, and all these . established flourishing crystallographic schools in Universities. Others went into Government service or industry; or obtained senior academic posts. The second or even third generation of crystallographers are now making their own marks on the pages of scientific history.


* W. T. Astbury, J. D. Bernal, E. G. Cox, K. Yardley (Mrs. Lonsdale), J. M. Robertson.

W. H. Bragg did not regard it as any part of his duty to train or teach research workers. The Ph. D. student who expected to be spoon-fed with pre-digested pap would have had short shrift from him. Unless a worker had some interesting results to show him, or some promising problem to discuss, he simply took no notice of him and in due course he disappeared quietly from the scene. He treated all his people as responsible colleagues and gave them the encouragement they needed; he found money and facilities for them. But he expected them to build their own apparatus out of bits and pieces, or to superintend its making in the workshops; - and above all he did not expect, except in the indirect ways mentioned earlier, to produce research problems for them or to have to tell them what to do next. He did insist on seeing the manuscripts of papers before they were sent for publication, and if he thought them worthy of it, he would communicate them to the Royal Society. An almost complete record of the research work done can be found in the Proc. Roy. Soc. and the J. Chem. Soc. (London) or for the later R.I. period (from 1937) in the Research Abstracts in the Proc. Roy. Institution.

It is only possible to give some of the highlights here. Early attempts on the crystal structure analysis of aliphatic and aromatic compounds were largely unsuccessful, apart from those of the series of long-chain compounds. These were prepared by W. B. Saville (1923-34), J. W. H. Oldham (1936- ) and later by Miss H. Gilchrist (1927-37); and studied by A. Müller and G. Shearer. Shearer's greatest triumph was in the correct identification, by X-ray measurements of spacing and intensity only, of the values of n and m, first in a single long-chain ketone CH3(CH2)nCO(CH2)mCH3, and then in a mixture of two such ketones. These were prepared for him by Professor (later Sir) Robert Robinson, who as a chemist was greatly impressed by this proof of the power of the new method. Müller, who later became Assistant Director, designed a successful 'Spinning Target X-ray Generator' (water-cooled) as early as 1929. He was particularly interested, not merely in the structures of the odd- and even-numbered chain compounds and of the 'state of rotation' that set in a little below the melting point for some of them, but in their related physical properties (lattice energy, dielectric polarization, torsional flexibility, etc.).

W. H. Bragg had long been puzzled (as Faraday was before him) by the hardening of metals produced by cold-working. In February 1924 he gave an R.I. Discourse on the research work going on in the D.F. Laboratory in which he referred to X-ray studies by Müller of Au, Ag, Cu and Al leaf or foil. Some work on metal structure continued in a minor way until 1951, when under Professor Andrade it became a major interest in the laboratory.

In 1924 J. D. Bernal (independently of Hassel and Mark) successfully proved the planarity of the layers in graphite, but his crowning achievements were the production of charts for the interpretation of X-ray single-crystal rotation photographs and the design of a universal X-ray photogoniometer. W. T. Astbury, in addition to attempting the structure analyses of tartaric acid and of Al and Ga acetylacetones, produced an ingenious integrating photometer for the photographic method. E. G. Cox and W. F. B. Shaw worked out correction factors for photographic measurement of intensities, and Cox also made the earliest determination of the structure of benzene. W. H. Barnes studied the structure of ice from 0°C to -183°C. Later Mrs. Lonsdale was able to take 'Laue' photographs of the diffuse scattering from ice grown on the D.F. Laboratory roof, simply by opening the windows of the laboratory on a wintry day and thus making the whole room into a refrigerator. It was not possible, however, to give an exposure of longer than about half an hour, because by then the X-ray beam had bored a neat hole right through the ice plate. Hailstones collected from the windowsill were also studied.

J. M. Robertson, who spent altogether some twelve years in the D.F. Laboratory, carried out a series of brilliant investigations of the crystal structures of aromatic compounds, beginning with naphthalene, anthracene, resorcinol, durene and benzophenone; and going on, partly with the later collaboration of Ida Woodward, to oxalic acid dihydrate, the phthalocyanines and the dibenzyl series, including stilbene, tolane, trans- and cis-azobenzene. He was particularly interested in the development both of special apparatus and numerical and mechanical computing techniques; and made great advances in the use of isomorphous and isostructural series and of the heavy-atom methods. Together with A. R. Ubbelohde he studied the effects of isotopic replacement (H by D) and of transitions such as α→β esorcinol, and he carried out most valuable work on the relationship between bond character and interatomic distance, on the basis of his Fourier analyses.

A. R. Ubbelohde, in addition to his work in collaboration with J. M. Robertson, made fundamental investigations on the thermodynamic properties of the metallic state, on the mechanisms of combustion of hydrocarbons, on melting and on various irreversible processes.

Sir William's interest in fibre structure has already been mentioned. In 1933 he extended this to include 'crystals of the living body' and in a lecture which included references to the work of W. T. Astbury (Leeds) on silk, wool, nerve and muscle, and to that of J. D. Bernal (Cambridge) on the aminoacids, vitamins etc., he emphasized especially that it was now becoming possible to correlate the magnetic, electric, optical and thermal properties of crystals with their structure and, conversely, to use such properties to assist in the determination of unknown structures.

From 1932 onwards measurements of the diamagnetic anisotropy of aromatic and aliphatic crystals were made first by Mrs. M. E. Boyland, then by Mrs. K. Lonsdale with assistance from C. H. Carlisle and in parallel with structure determinations. Some horrible risks were taken in ignorance. For example, Miss Knaggs published a structure of cyanuric triazide, for which magnetic measurements were made by Mrs. Lonsdale. Professor K. S. Krishnan, then in Calcutta, decided to repeat some of these measurements; but the crystals, which are a somewhat erratic explosive, detonated overnight and wrecked his laboratory. The D.F. Laboratory evidently had a better guardian angel.

In 1933 W. H. Bragg became absorbed in the problem of so-called 'liquid crystals', following a general discussion at the Faraday Society in April of that year. The lecture in which he gave an account of the optical effects shown by smectic, nematic and cholesteric classes was one of the few in which he showed that his fundamental mathematical training could still stand him in good stead. His later interest in clays derived partly from the Christmas lectures he had given on 'Old Trades and New Knowledge', partly from his son's work on the silicates and partly from the current investigations being made in the D.F. Laboratory by G. Nagelschmidt.

Shortly before Sir William's death in 1942 there began in the laboratories and elsewhere the studies of diffuse scattering by the thermal waves in crystals and of the anomalous scattering in type I diamonds which interested him so much that he arranged a Royal Society Discussion on the subject. These researches were continued during the subsequent years when first Sir Henry Dale and then Professor E. Rideal was Director of the D.F. Laboratory. At the same time Miss Woodward and A. R. Ubbelohde were studying the sub-crystalline changes in structure of Rochelle salt and potassium dihydrogen phosphate in their ferroelectric regions, and studies of texture and extinction were being made by means of Laue and divergent-beam photographs. In 1950 L. R. G. Treloar began his studies of polymers and D. P. Riley those of DNA and other globular proteins, while the coming of Professor Andrade as Director in 1951 brought R. King to study metals and U. W. Arndt to develop Geiger and proportional counters for intensity measurements.

Since 1954, when Sir Lawrence came from the Cavendish Laboratory to take the position formerly held by his father, the laboratories have developed very much along these three lines: the study of metal structures (illustrated by the delightful Nye-Bragg bubble models); the building of equipment for the automatic recording of large quantities of crystal data; and with the help of A. C. T. North, D. W. Green, D. C. Phillips and Miss Helen Scouloudi, and in collaboration with the Cambridge Medical Research Council Unit, the successful attack on the sperm whale and seal myoglobin structures.

Less than 40 years from naphthalene and anthracene to the structures of complicated protein crystals: what a pity that Sir William did not live to see the latter! One feels that even at 100 years old he would still have been thrilled at this crowning achievement of the science that he helped to found.

17.8. EARLY WORK ON CRYSTAL STRUCTURE AT MANCHESTER by R. W. James

Manchester's connection with the diffraction of X-rays by crystals began very shortly after the discovery of the effect at Munich, when H. G. J. Moseley, working in Rutherford's laboratory, and following up W. H. Bragg's discovery that the characteristic X-ray spectra from the elements were line spectra, used a crystal as an optical grating to establish his famous relation between the characteristic frequencies and the atomic numbers of the elements. At the same time, C. G. Darwin, then Lecturer in Mathematical Physics in the laboratory, extended W. L. Bragg's treatment of diffraction by crystals, taking into account multiple reflections from plane to plane within the crystal, which Bragg had neglected. He showed that a crystal with small absorption, consisting of a perfectly ordered array of planes, should reflect the radiation totally over a very small range of angles, proportional to the amplitude scattered by a single crystal unit, and that the middle of this range occurred at an angle rather greater than that given by the simple Bragg law. He showed too that while total reflection was taking place the rays could penetrate only to a very small depth in the crystal, an effect known as primary extinction; and he obtained an expression for the refractive index of the crystal for X-rays less than unity by a few parts in one hundred thousand.

On Darwin's theory the integrated intensity as the angle of incidence varied through the reflecting range ought to be proportional to the first power of the amplitude scattered by a single crystal unit, but if multiple reflections were neglected it should be proportional to the square of this quantity. Moseley and Darwin made some measurements with rocksalt and white radiation to try to test this point, and found results that seemed rather to support the simpler theory. This work was published in 1913 and 1914 in two remarkable papers that laid the foundations of the quantitative measurement of the intensities of X-ray spectra, and drew attention at the very outset to what has always been the main difficulty in such work, allowance for the state of perfection of the crystal. Because of the war, the implications of Darwin's work were not at once appreciated, and meanwhile Ewald had handled the same problem in a more fundamental manner in his dynamical theory; but his papers too were overshadowed by the war, and did not become well known in England until some years after their publication.

In 1919 W. L. Bragg succeeded Rutherford in the Manchester chair, and one of his first objects was to put reflection of X-rays by crystals on a proper quantitative basis. With this end in view he, with R. W. James and C. H. Bosanquet, began a series of measurements of the absolute intensity of reflection of X-rays from rocksalt, a crystal whose structure was definitely known, with no uncertain parameters. In this way it was hoped to test the applicability of the reflection formulas. It was realized, moreover, that in view of the relation of the wavelength of the radiation to the dimensions of the atoms the amplitude scattered by an atom would not be proportional at all angles to the number of electrons it contained, but would decrease with increasing angle of scattering, merely as a consequence of the increasing phase differences between the contributions scattered by the different parts of the atom. The measurement of the so-called f-factor, the ratio of the amplitude scattered by an atom to that scattered by a single classical electron under the same conditions, was one of the aims of these experiments; for, in the first place, from its angular variations it was hoped to get direct optical evidence of the distribution of the electrons in the atoms, and secondly, it was clear that information about the way in which the scattering powers of different atoms depended on the angle of scattering would be essential if any but the simplest crystals were to be analysed.

The apparatus available for this work was by modern standards primitive. An ionization spectrometer was used, one of the original instruments constructed in W. H. Bragg's laboratory at Leeds, which was to have another good fifteen years of useful life at Manchester. The source of radiation was at first a gas tube, excited by an induction coil with a Wehnelt interrupter; and conditions were often so unsteady that it was impossible to obtain readings of any real value. A little later, when the gas tube was replaced by a Coolidge tube, and the induction coil by a more suitable transformer, reproducible results of fair accuracy were obtained. The integrated reflection was measured by a method first suggested by W. H. Bragg, in which the crystal was rotated through the reflecting range with a uniform angular velocity, the total ionization produced in the chamber during the rotation being taken as a measure of the intensity. The lead-screw of the crystal table was fitted with a capstan-head with four spokes, and this was turned by the index finger of the observer, one flick of the capstan to each beat of a metronome, a simple device that proved surprisingly adequate. For absolute measurements the radiation had to be made monochromatic by reflection from a crystal, for which purpose resorcinol was used in these experiments, and then reflected a second time from the rocksalt crystal. After two reflections the intensity was small, and only strong spectra could be measured in this way.

The rocksalt crystals used in these experiments were found to reflect very nearly according to the simple formula that neglected multiple scattering, and the more intense spectra were as much as twenty or thirty times stronger than the Darwin perfect-crystal formula indicated. It was noticed, however, that these strong intensities varied considerably from specimen to specimen. A freshly cleaved face might give an abnormally low reflection, but this could perhaps be increased eight or ten-fold by grinding the face on fairly coarse emery paper, and it was found too that as a result of this treatment the intensities from different specimens tended to approach the same limit.

It appeared that, if crystals were so imperfect that exact regularity did not persist over a large enough region for the Ewald-Darwin dynamical field to be set up within it, the formula that neglected multiple reflection still applied. Ewald suggested the name mosaic for crystals of this kind, and the experiments suggested that the Manchester rocksalt crystals approached this type closely. But even so, the strong spectra were weaker than they should have been, and this was ascribed to the shielding of regions deeper in the crystals by nearly parallel regions above them, which reflected away radiation that would otherwise have reached them. This shielding effect was reduced by grinding, which presumably reduced the degree of parallelism of the different regions, but it could not be entirely removed. Darwin called this effect secondary extinction, although it is of course of quite a different nature from primary extinction in perfect crystals. It proved possible to estimate the enhanced linear absorption due to this effect, and to some extent to correct for it; and ultimately a set of absolute f-curves for sodium and chlorine were obtained which were in fair agreement with what was to be expected from what was known at the time of the electron distribution in these atoms. Bragg, James and Bosanquet published these results in three papers that appeared in 1921 and 1922, and their implication in terms of crystal perfection was discussed by Darwin soon afterwards.

The choice of the very imperfect crystal rocksalt for these experiments was fortunate, for it led to fairly unambiguous results; but it was soon clear that not all crystals behaved in the same way. W. H. Bragg, for example, observed the reflections from a diamond to be nearly proportional to the structure factors, and not to their square as the mosaic theory required. There was considerable lack of understanding among many practical workers of the implications of the dynamical theory, which was not easy to read; and there was a corresponding ignorance on the part of the theorists as to how much crystals did actually reflect, as distinct from what, on certain assumptions as to their nature, they ought to reflect. Ewald, who had kept in touch with the work at Manchester and elsewhere, realizing this, organized in September 1925 an informal conference at Holzhausen in Bavaria, consisting of about a dozen members, and in a week's discussion a great advance in the general understanding of this rather difficult subject was made. It became clear that the perfect crystal is rather rare, that most crystals are neither perfect nor mosaic, but something between the two, and that the most reliable test of perfection or imperfection is probably the intensity with which they reflect X-rays. The problem, if not solved, had become defined. It seems proper to mention this conference in discussing the Manchester work, for the Manchester measurements had a good deal to do with its being held, and the Holzhausen discussion certainly had a great influence on Iater work there. It may be interesting to mention the members of the conference. They were P. P. Ewald, M. von Laue, W. L. Bragg, P. Debye, C. G. Darwin, L. Brillouin, H. Mark, K. Herzfeld, I. Waller, H. Ott, A. D. Fokker, R. W. G. Wyckoff and R. W. James.

In 1925, D. R. Hartree, afterwards Professor of Applied Mathematics at Manchester, but then still at Cambridge, calculated average electron distributions for sodium and chlorine atoms based on the Bohr orbit model of the atom. The f-curves calculated from these distributions fell away less uniformly and less rapidly than the measured curves, and the effect was one not to be explained by an imperfect knowledge of the temperature factor. It was in fact mainly due to the concentration of charge density at certain radii produced by averaging the circular orbits of the Bohr model.

In the same paper Hartree estimated the dimensions of the atomic orbits for a number of ions, and f-curves based on these were used by James and W. A. Wood in a determination of the structure of barytes, published in 1925. There is little doubt that the obvious need of crystallographers for reliable information about f-factors had considerable effect in directing Hartree's attention to the calculation of atomic electron distributions, and so led him to devise the method of the self-consistent field.

The effect of the thermal vibrations of the atoms in reducing the intensities of X-ray spectra had been pointed out by Debye, and demonstrated experimentally in 1914 by W. H. Bragg. James continued the experimental work on rocksalt by measuring the intensities of a number of spectra from room temperature to 600°C in 1925, and in 1926 and 1927, with Miss E. M. Firth (Mrs. W. Taylor), extended the measurements to the temperature of liquid air. By this time Schrödinger's theory had been developed, and Hartree had calculated the atomic wave-functions of sodium and chlorine by the method of the self-consistent field. Wentzel had shown that for the usual X-ray wave-lengths the scattering of radiation from an atom could be obtained by treating the Schrödinger charge distribution as a classical charge distribution, and Waller had extended Debye's theory of the temperature effect. A detailed comparison with theory was therefore possible. In papers published in 1927, which had their origin in a visit to Manchester of Ivar Waller of Uppsala, he with Hartree and James showed that there was good absolute agreement between the measured and calculated f-curves, provided that in allowing for the temperature correction the existence of zero-point energy was assumed; and these results were confirmed by James, Brindley and Wood with potassium chloride, and with aluminium.

Concurrently with the quantitative work a considerable amount of structure determination had been going on in the laboratory, and in due course two main lines of investigation developed, those on the structure of the silicates and the structure of the alloys. Bragg insisted that structure determination ought to be considered primarily as a physical problem, and not merely as a geometrical one, and that, to make progress, relevant information of all kinds should be sought and used. A structure determination was in those days usually a matter of trial and error, and success was likely to depend on the skill and physical insight displayed in guessing an initial structure. That Bragg himself possessed this particular skill in an unusual degree was a great factor for success in the work. Ideas of what was a suitable crystal for a structure determination were still largely governed by whether it could be obtained in specimens large enough for use on the spectrometer, and whether it had a high symmetry. It was customary to grind faces on the crystals if they did not occur naturally. Another technique in which a slice of crystal was mounted on the spectrometer in such a way that it could be rotated in its own plane was often used, and in this way, by reflecting through the slice from planes perpendicular to its surface, the intensities of spectra round a zone axis could be compared with considerable accuracy. Photographic methods came into use comparatively slowly, and were mostly limited to oscillation photographs, first with flat photographic plates, and afterwards with cylindrical cameras.

Bragg laid stress on the idea that an atom in a crystal had a characteristic size, and that in deciding on likely structures packing had to be taken into account. He encouraged his pupils to make models, and to see how best the available material would fit into the available space. A structure ought to look sensible, to be so to speak a good engineering job. In 1920 he showed that in many crystals interatomic distances obeyed a simple additive law, and these results were reinterpreted in 1923 by Wasastjerna in terms of atomic sizes, and checked by atomic refractivities. To the same period belong papers by Bragg on the refractive indices of calcite and aragonite, in which the double refraction is calculated by taking into account the varying interaction in different directions of the atomic dipoles produced by the optical electric fields.

The realization that the refractivity in such compounds was due principally to the relatively large and easily polarizable oxygen atoms was of influence in the early development of the work on silicates; for it was seen that many of the simpler silicates could be regarded very nearly as an array of close-packed oxygen atoms, with the relatively small metallic ions tucked in the crannies between them, the crystal as a whole having a refractive index not very different from that of a close-packed array of oxygen. Bragg saw that the ruby, Al2O3, not of course a silicate, could be regarded in this way, and the same idea was of importance in some of the earlier silicate analyses. An interesting example was cyanite, which although triclinic, was seen to be essentially, so far as packing was concerned, a close-packed array of oxygen.

From 1926 onwards a long series of papers by Bragg himself, by his own Manchester pupils, and by many workers from laboratories abroad, issued from the laboratory. It was found that the silicon atoms always lay at the centres of tetrahedra formed by four oxygen atoms. In the orthosilicates these were independent groups, but sometimes by sharing oxygen atoms they might form rings, or endless chains, or ribbons in which two parallel chains shared oxygen atoms, as in the fibrous minerals like asbestos; or they might form sheets of linked hexagonal rings, as in the flaky minerals like mica or talc; or they might form cage-like structures in three dimensions, as in the felspars and zeolites. These extended groups are in effect extended negative ions, and valency requirements must be fulfilled when they build into a structure by including suitable positive ions. The extreme variability in composition of the silicates is accounted for by the fact that in these groups a certain number of silicon atoms may be replaced by aluminium, which alters the effective valency of the group, and allows a corresponding variation in the number and nature of the metallic ions in the structure. Bragg showed as a result of this work that the chemistry of the silicates was a chemistry of the solid state, intelligible only in terms of the three-dimensional structures. Quite precise valency requirements have none the less to be obeyed, and this was well understood and used by the Manchester workers sometime before the full development of the idea by Pauling.

These structures were at the time among the most complex that had been attempted, and a paper by W. L. Bragg and J. West, who took a large share in the silicate analyses and in the training of those who worked on it, entitled 'A Technique for the X-ray Examination of Structures with Many Parameters', was published in the Zeitschrift für Kristallographie in 1928, and summarized the methods then in use in the laboratory.

A very important development in 1929 was the introduction by Bragg of the method of two-dimensional Fourier synthesis, which was first applied, as an illustration, to the analysis of one of the silicates, diopside, the structure of which had been obtained by other methods. The importance of the method was that it allowed all available measurements to be used in the determination of the structure, and it rapidly became and has remained, a standard method of crystal analysis. The work on silicates lasted from ten to twelve years at Manchester. A very active worker was W. H. Taylor, now Head of the Crystallography Department of the Cavendish Laboratory, who made the silicates and zeolites his special field and has continued to work on them.

The use of powdered-crystal methods in the laboratory was developed by A. J. Bradley and J. C. M. Brentano. The latter was interested in its development as a method of obtaining quantitative measurements of intensities, unaffected by secondary extinction. Bradley was responsible for developing the Debye-Scherrer method and for applying it to a long series of determinations of alloy structures. He began work with a small and rather primitive powder camera and a Shearer gas tube, and with this he determined the structure of the hexagonal crystal lithium potassium sulphate, making perhaps the first attempt to allow for the decrease of scattering power of oxygen with increasing angle of scattering. The structures of arsenic, selenium and tellurium followed in 1925, and this led on to work on the structure of alloys that occupied Bradley and his fellow workers for the next twelve or fourteen years. He greatly improved the powder technique, and with A. H. Jay in 1932, made it into a precision method for the determination of lattice spacings. The work on alloys was helped by Messrs. Metropolitan Vickers of Trafford Park, who installed a vacuum induction furnace for the preparation of the alloys, and a number of members of their research department, among them Dr. C. Sykes, worked from time to time in the laboratory.

Notable achievements were the determination of the structure of γ-brass, with 52 atoms to the unit cell, and the recognition of the relation of the γ-phase to the simpler β-phase in such alloys; and of the structure of α-manganese, with 58 atoms to the unit cell, by Bradley and Thewlis. These, and the later determinations of the structures of phosphotungstic acid by Bradley and Keggin, and of phosphomolybdic acid by Bradley and Illingworth, were notable examples of what can be done by the powder method in analysing a complicated cubic structure. The iron-aluminium superlattices were investigated by Bradley and Jay, the Heusler alloys by Bradley and Rodgers, the nickel-aluminium system by Bradley and A. Taylor, and the chromium-aluminium alloys by Bradley and Lu. Later important work was that on the ternary alloys and the relation of the lattice structure to the magnetic properties. Professor Bragg took a deep interest in this work on alloys, and it led to a much better understanding of the nature of an alloy and the significance of the different phases, and in this connection there were many helpful discussions with W. Hume-Rothery, who visited the laboratory from time to time. Bradley too spent some time in Sweden in Westgren's laboratory where similar work was in progress.

In 1934 Bragg and E. J. Williams discussed theoretically the effect of thermal movement on the atomic arrangement in alloys, and problems of annealing and kindred subjects, in three papers, one of which formed the subject of a Bakerian Lecture to the Royal Society.

Two Liverpool students, C. A. Beevers and H. S. Lipson, had been working at Liverpool on the structures of the sulphates of beryllium, copper, nickel, and cadmium, and also of the alums, all crystals with water of crystallization, the elucidation of which was an important piece of work, and had been in touch with the Manchester laboratory. In 1935 Beevers moved to Manchester, and continued his work on magnesium sulphate, and Lipson followed in 1936. During 1935 and 1936 they had worked out their method of summing Fourier series, and the well-known Lipson-Beevers strips were prepared in the Manchester laboratory. Lipson was in due course to succeed W. H. Taylor as head of the Physics Department at the Manchester College of Technology, where he has become well known for his work on optical transforms and their application to structure determinations; and Beevers migrated to Edinburgh, where he has been the centre of an active school of X-ray work.

A feature of the Manchester school during these years was the large number of visiting research students who came to work in the laboratory from all over the world. Among them may be mentioned J. M. Bijvoet, F. W. H. Zachariasen, L. Pauling, B. E. Warren, I. Waller, J. A. Santos, H. Brasseur, F. Machatschki, Sc. Naray-Szabo, H. Strunz, I. Fankuchen, E. Onorato and O. R. Trautz.

Whenever a structure had been determined in the laboratory a model was, if possible, made of it, and various types were fashionable from time to time. In the earlier days, when crystals were still relatively simple, packed spheres often made of dental wax were used. The silicate models were usually constructed by cutting thin glass tubing into lengths equal to the interatomic distances, stringing them together with thin wire to form the structure, and showing the positions of the atoms, without regard to size, by balls of coloured wax at the junctions of the glass tubing. These models made an impressive show on days when exhibitions of the work of the University were held. They were the trophies of the school, and the memory of them must linger in the minds of all who were privileged to work under Bragg's leadership during those early years.

 


First published for the International Union of Crystallography 1962 by N.V.A. Oosthoek's Uitgeversmaatschappij, Utrecht, The Netherlands
Digitised 1999 for the IUCr XVIII Congress, Glasgow, Scotland
© 1962, 1999 International Union of Crystallography

Photographic record of crystallographic activities in UK

The complete IUCr photographic archive includes thousands of photographs. Here we include a collection illustrating activities in this country. This image is selected randomly from the galleries listed below (IUCr Congress and General Assembly, 1999).
Kia Wallwork.