Event Name

Basics and applications of the Rietveld method

Start Date 6th Mar 2017
End Date 9th Mar 2017

DMG / DGK Doctoral Course
Basics and Application of Rietveld

Organised by R.E. Dinnebier in cooperation with the Universities of Tübingen and Stuttgart and the Powder Diffraction Working Group of the DGK.

Course Description

The aim of the intensive course is to teach the basics of the Rietveld method in theory and practice. 
Specifically, the following topics:
• Fundamentals of Powder Diffraction
• Whole Powder Pattern Fitting (WPPF) Fundamental parameters, complex reflection profiles
• Creation of instrument profiles for powder diffractometer
• Correction factors: LP-factor, absorption, microabsorption, extinction, preferred orientation
• Methods for the development of a starting model for the crystal structure
• Application of Penalty Functions, Constraints, Restraints, etc.
• Preparation of Rigid Bodies (flexible polyhedron molecules, such matrices)
• Structure strategies, global optimization methods in direct space, charge flipping
• Use of the difference Fourier method in combination with Rietveld refinements
• Refinement of microstructural parameters using the Rietveld refinement
• Quantitative phase analysis using the Rietveld method
• Comparison of different methods for determining the amorphous portion
• Alternative structural descriptions by symmetry and rotational modes
• parameterization of Rietveld refinements (macro programming)
• Global Optimization stack disordered crystal structures
• Global and local optimization of the pair distribution function
• Creation of Rietveld plots for publications

Course fee:
60 euros for students / PhD students / post-docs (including dinner). 
Student DMG members get a subsidy of 50 euros from DMG. 
(Course fees for industry participants 400 Euro, if seats are free).

Lectures in English. Exercises in English and German

For the exercises a laptop (Windows 64-bit) with administrator privileges. 
TOPAS 5/6 will need to be installed prior to school.

Further information and the registration form available soon at: http://www.fkf.mpg.de/xray

For the successful completion of the course can 2 ECTS (European Credit Transfer System) points will be awarded (subject to the existence of a written test).

Attendance: Approximately 40

Please register via WWW, E-mail or fax to the following address:
Prof. Dr. Robert E. Dinnebier
Max Planck Institute for Solid State Research
Heisenbergstrasse 1
D-70569 Stuttgart
Tel: (49) (0) 711 689 1503
Fax: (49) (0) 711 689 1502
E-mail: r.dinnebier@fkf.mpg.de
WWW: http://www.fkf.mpg.de/xray

Location Stuttgart
URL http://www.fkf.mpg.de/xray

Category Schools
Topics Chemical crystallography | Powder diffraction | Solid-state chemistry