Information card for entry 5000040

Structure parameters

• Chemical name: Calcium sulfate
• Mineral name: Anhydrite
• Formula: Ca O4 S
• Calculated formula: Ca O4 S
• SMILES: [Ca+2].S(=O)(=O)([O-])[O-]
• Title of publication: The crystal structure of anhydrite (Ca S O4)
• Authors of publication: Cheng, G C H; Zussman, J
• Journal of publication: Acta Crystallographica (1,1948-23,1967)
• Year of publication: 1963
• Journal volume: 16
• Pages of publication: 767 - 769
• a: 6.991 Å
• b: 6.996 Å
• c: 6.238 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 305.1 ų
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: A m m a
• Hall space group symbol: -A 2a 2a
• Residual factor for all reflections: 0.11
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No