Information card for entry 8103630

Structure parameters

• Chemical name: Ca (S O4) (H2 O)2
• Formula: Ca H4 O6 S
• Calculated formula: Ca H4 O6 S
• SMILES: [Ca]([OH2])[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Temperature related structural variation of the hydrous components in gypsum
• Authors of publication: Schofield, P.F.; Stretton, I.C.; Knight, K.S.; Wilson, C.C.
• Journal of publication: Zeitschrift fuer Kristallographie (149,1979-)
• Year of publication: 2000
• Journal volume: 215
• Pages of publication: 707 - 710
• a: 5.6749 Å
• b: 15.1427 Å
• c: 6.5091 Å
• α: 90°
• β: 118.491°
• γ: 90°
• Cell volume: 491.607 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No