Crystallography Open Database

Information card for entry 2300259

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca H4 O6 S
Calculated formula	Ca H4 O6 S
SMILES	O.S(=O)(=O)([O-])[O-].[Ca+2].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	5.68021 ± 0.00013 Å
b	15.2139 ± 0.0004 Å
c	6.53032 ± 0.00015 Å
α	90°
β	118.484 ± 0.0012°
γ	90°
Cell volume	496.03 ± 0.02 Å³
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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