Crystallography Open Database

Information card for entry 9015350

Preview

Coordinates	9015350.cif
External links	AMCSD

Structure parameters

Mineral name	Gypsum
Formula	Ca O6 S
Calculated formula	Ca H4 O6 S
Title of publication	On the crystal structure of gypsum Ca S O4 (H2 O)2 _cod_database_code 1010981
Authors of publication	Wooster, W.
Journal of publication	Zeitschrift fur Kristallographie
Year of publication	1936
Journal volume	94
Pages of publication	375 - 396
a	10.47 Å
b	15.15 Å
c	6.51 Å
α	90°
β	151.55°
γ	90°
Cell volume	491.931 Å³
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Duplicate of	1010981
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292002 (current)	2024-05-23	Inserting missing Z values into entries of range 9	9015350.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9015350.cif
188358	2016-11-09	cif/9 Marking attached hydrogen atoms.	9015350.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9015350.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9015350.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015350.cif