Information card for entry 2211651

Structure parameters

• Common name: decacalcium potassium heptakis(orthophosphate)
• Chemical name: decacalcium potassium heptakis(orthophosphate)
• Formula: Ca10 K O28 P7
• Calculated formula: Ca10 K O28 P7
• SMILES: [O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[K+].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
• Title of publication: Ca~10~K(PO~4~)~7~ from single-crystal data
• Authors of publication: Malin Hannah Sandström; Dan Boström
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: i253 - i255
• a: 10.463 ± 0.0004 Å
• b: 10.463 ± 0.0004 Å
• c: 37.241 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3530.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes