Information card for entry 2300258

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 ų
• 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 Fobs: No