Information card for entry 8100583

Structure parameters

• Formula: Ca H4 O6 S
• Calculated formula: Ca H4 O6 S
• SMILES: [Ca]([OH2])[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO~4~ · 2H~2~O
• Authors of publication: Boeyens, J. C. A.; Ichharam, V. V. H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 9 - 10
• a: 6.284 ± 0.001 Å
• b: 15.2 ± 0.001 Å
• c: 6.523 ± 0.0012 Å
• α: 90°
• β: 127.414 ± 0.011°
• γ: 90°
• Cell volume: 494.87 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No