Crystallography Open Database

Information card for entry 6000694

Preview

Coordinates	6000694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca H O4.5 S
SMILES	[Ca+2].S(=O)(=O)([O-])[O-].O
Title of publication	Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods
Authors of publication	Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.
Journal of publication	Journal of Solid State Chemistry
Year of publication	1995
Journal volume	117
Pages of publication	165 - 176
a	12.0317 Å
b	6.9269 Å
c	12.6712 Å
α	90°
β	90.27°
γ	90°
Cell volume	1056.04 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	I 1 2 1
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176292 (current)	2016-02-09	cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries.	6000694.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	6000694.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	6000694.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	6000694.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.	6000694.cif
878	2009-11-19	cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif	6000694.cif