Information card for entry 2230974

Structure parameters

• Chemical name: tricalcium manganese bis(sulfate) hexahydroxide trihydrate
• Formula: Ca3 H12 Mn O17 S2
• Calculated formula: Ca3 H12 Mn O17 S2
• SMILES: S(=O)(=O)([O-])[O-].[Mn](O)(O)(O)(O)(O)O.O.S(=O)(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].O.O
• Title of publication: Redetermination of despujolsite, Ca~3~Mn^4+^(SO~4~)~2~(OH)~6~.3H~2~O
• Authors of publication: Barkley, Madison C.; Yang, Hexiong; Evans, Stanley H.; Downs, Robert T.; Origlieri, Marcus J.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: i47 - i48
• a: 8.5405 ± 0.0005 Å
• b: 8.5405 ± 0.0005 Å
• c: 10.8094 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 682.81 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes