Information card for entry 2021185

Structure parameters

• Common name: Caesium manganese hexahydrate phosphate
• Chemical name: Caesium manganese hexahydrate phosphate
• Formula: Cs H12 Mn O10 P
• Calculated formula: Cs H12 Mn O10 P
• SMILES: [Cs+].[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].P(=O)([O-])([O-])[O-]
• Title of publication: A first Mn member in the struvite morphotropic series, CsMn(H~2~O)~6~(PO~4~): hydrothermal synthesis, crystal structure and interconnections within the family of related phosphates
• Authors of publication: Kiriukhina, Galina V.; Yakubovich, Olga V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• a: 6.9809 ± 0.0007 Å
• b: 6.9809 ± 0.0007 Å
• c: 12.027 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 507.59 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes