Information card for entry 1559495

Structure parameters

• Common name: Calcium Sulfate Sulfite Dodecahydrate Ca3(SO4)(SO3)2.12H2O
• Formula: Ca3 H24 O22 S3
• Calculated formula: Ca3 H24 O22 S3
• Title of publication: Structure and Properties of Calcium Sulfate Sulfite Dodecahydrate
• Authors of publication: Mangio, Regina; Langer, Vratislav; Johansson, Lars-Gunnar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 572 - 577
• a: 11.34 ± 0.002 Å
• b: 11.34 ± 0.002 Å
• c: 28.056 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3124.5 ± 1 ų
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No