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(51) Approval of extended Core - update
- To: COMCIFS@iucr.ac.uk
- Subject: (51) Approval of extended Core - update
- From: bm
- Date: Tue, 15 Oct 1996 10:39:04 +0100
Dear Colleagues I have still to receive formal approval from a small number of you. I'd be grateful for an early response. In the Meantime, thanks go to Paul Edgington and Gotzon Madariage for bringing a few points to my attention. These have resulted in the attached changes to the working draft. Regards Brian *** c96.021096 Tue Oct 15 10:25:25 1996 --- cif_core.dic Tue Oct 15 10:35:14 1996 *************** *** 194,200 **** and likewise for *_B_* to increase the consistency of abbreviations, as suggested by I.D. Brown Added disorder example to the ATOM_SITE category description ! ; ############### --- 194,206 ---- and likewise for *_B_* to increase the consistency of abbreviations, as suggested by I.D. Brown Added disorder example to the ATOM_SITE category description ! 1996-10-15 BMcM: ! Modified description of example for DIFFRN_REFLN ! Changed _enumeration_range of atom_site_attached_hydrogens ! from 0:4 to 0:8 (cf CSD entry with refcode DUTMAG01) (PRE) ! Added '_enumeration_default cif' to _publ_body_format ! Changed underscores to spaces in the example for the Hall ! spacegroup symbol in data_symmetry_[] ; ############### *************** *** 420,426 **** _type numb _list yes _list_reference '_atom_site_label' ! _enumeration_range 0:4 _enumeration_default 0 loop_ _example _example_detail 2 'water oxygen' --- 426,432 ---- _type numb _list yes _list_reference '_atom_site_label' ! _enumeration_range 0:8 _enumeration_default 0 loop_ _example _example_detail 2 'water oxygen' *************** *** 3790,3797 **** # - - - - data truncated for brevity - - - - ; ; ! Example 1 - extracted from the CAD-4 listing of Rb~2~S~2~O~6~ at room ! temperature (not yet published). ; # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - _definition --- 3796,3803 ---- # - - - - data truncated for brevity - - - - ; ; ! Example 1 - extracted from the CAD-4 listing of Tl~2~Cd~2~(SO~4~)~3~ at ! 85 K (unpublished). ; # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - _definition *************** *** 6131,6136 **** --- 6137,6143 ---- sgml 'SGML (ISO 8879)' tex 'TeX' troff 'troff or nroff' + _enumeration_default cif _definition ; Code indicating the appropriate typesetting conventions for accented characters and special symbols in the text *************** *** 7533,7539 **** ; _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' ! _symmetry_space_group_name_Hall P_2ac_2ab ; ; Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991). --- 7540,7546 ---- ; _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' ! _symmetry_space_group_name_Hall 'P 2ac 2ab' ; ; Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991).
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