Information card for entry 2300259

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 ų
• 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 Fobs: No