Information card for entry 2218903

Structure parameters

• Common name: Cs-struvite (hexagonal)
• Chemical name: Caesium hexaaquamagnesium orthophosphate
• Formula: Cs H12 Mg O10 P
• Calculated formula: Cs H12 Mg O10 P
• SMILES: P(=O)([O-])([O-])[O-].[Cs+].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Redetermination of the hexagonal struvite analogue Cs[Mg(OH~2~)~6~](PO~4~)
• Authors of publication: Weil, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: i50
• a: 6.8827 ± 0.0008 Å
• b: 6.8827 ± 0.0008 Å
• c: 11.9188 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 488.97 ± 0.1 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: 0.0163
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes