Crystallography Open Database

Information card for entry 1200004

1200003 << 1200004 >> 1200005

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Coordinates	1200004.cif

Structure parameters

Chemical name	Magnesium sulfate - β
Formula	Mg O4 S
Calculated formula	Mg O4 S
Title of publication	Structure de la forme hautes temperatures du sulfate anhydre de magnesium, β-MgSO~4~
Authors of publication	Coing-Boyat, J.
Journal of publication	Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
Year of publication	1962
Journal volume	255
Pages of publication	1962 - 1964
a	4.742 Å
b	8.575 Å
c	6.699 Å
α	90°
β	90°
γ	90°
Cell volume	272.4 Å³
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P b n m
Hall space group symbol	-P 2c 2ab
Residual factor for all reflections	0.144
Duplicate of	1100076
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200088 (current)	2017-09-02	cif/1/ Updating bibliography in entries 1008927, 1100076, 1200004.	1200004.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1200004.cif
112050	2014-04-29	cod/ (saulius@koala.ibt.lt) Marking 392 files as duplicates of the COD entries (with smaller COD IDs) that had identical title, cell constants and coordinates: mysql -u cod_reader cod -e ' select d1.file, d2.file from data as d1 join data as d2 on ( d1.title = d2.title or d1.title = substr(d2.title,1,length(d2.title)-1) or d2.title = substr(d1.title,1,length(d1.title)-1)) and d1.file < d2.file and d1.a = d2.a and d1.b = d2.b and d1.c = d2.c and d1.vol = d2.vol and (d1.calcformula = d2.calcformula or d1.calcformula is null or d2.calcformula is null) and d1.duplicateof is null and d2.duplicateof is null and d1.optimal is null and d2.optimal is null order by d1.file, d2.file' -NB \ \| xargs -i bash -c ' F1=$(echo {} \| awk "{print \$1}" \| codid2file); F2=$(echo {} \| awk "{print \$2}"\| codid2file); true echo === {} ===; if diff -q <(cif2ref $F1) <(cif2ref $F2) >& /dev/null; then CODID=$(echo {} \| awk "{print \$1}"); echo $CODID is the main entry for $F2; echo "_cod_duplicate_entry $CODID" >> $F2; fi' The localhost `cod` database's table `data` was loaded with the last night's COD `data` dump.	1200004.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1200004.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1200004.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	1200004.cif
720	2009-05-13	cod/cif/: Adding loop_ token in front of the _publ_author_name tag in all COD entries where _publ_author_name was not in a loop (this tag is loop-mandatory).	1200004.cif
30	2008-01-27	Adding the reprocessed files from my first COD deposition. Reprocessing with the new cif-tools scripts removed missing tags and added Acta Cryst. Coeditor codes into those files where the corresponding CIF tag was present. Not all reprocessed files were changed. Alsin two entries, cif/8/8000061.cif and cif/8/8000065.cif, were removed manually, both from the CIF file directory and from the cif2cod.txt file, since these two files were detected to be duplicates.	1200004.cif
20	2008-01-26	Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\s+\n$/\n/'	1200004.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1200004.cif
11	2008-01-11	Adding splitted COD CIFs that contained mupltiple structures and mupltiple entries in the COD database. Now each file contains exactely one structure; new files were created and assigned COD numbers as necessary. There still may be more CIF files that contain mupltiple structures but which were not reflected in the COD MySQL table 'data';	1200004.cif