Information card for entry 2237276

Structure parameters

• Chemical name: Tricalcium germanium bis(sulfate) hexahydroxide trihydrate
• Formula: Ca3 Ge H12 O17 S2
• Calculated formula: Ca3 Ge H12 O17 S2
• SMILES: S(=O)(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ge](O)(O)(O)(O)(O)O.O.O.S(=O)(=O)([O-])[O-].O
• Title of publication: Schaurteite, Ca~3~Ge(SO~4~)~2~(OH)~6~·3H~2~O
• Authors of publication: Origlieri, Marcus J.; Downs, Robert T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: i6
• a: 8.5253 ± 0.0004 Å
• b: 8.5253 ± 0.0004 Å
• c: 10.8039 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 680.03 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No