Crystallography Open Database

Information card for entry 2300258

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Original paper (by DOI)	HTML

Structure parameters

Common name	Gypsum
Formula	Ca H4 O6 S
Calculated formula	Ca H4 O6 S
SMILES	[O-]S(=O)(=O)[O-].[Ca+2].O.O
Title of publication	Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum
Authors of publication	Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.
Journal of publication	Journal of Applied Crystallography
Year of publication	2009
Journal volume	42
Journal issue	6
Pages of publication	1176 - 1188
a	6.28689 ± 0.00013 Å
b	15.2131 ± 0.0004 Å
c	6.52996 ± 0.00014 Å
α	90°
β	127.43 ± 0.0008°
γ	90°
Cell volume	495.95 ± 0.02 Å³
Cell temperature	300 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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