Information card for entry 2215686

Structure parameters

• Chemical name: Nonacalcium chromium(III) heptakis(orthophosphate)
• Formula: Ca9 Cr O28 P7
• Calculated formula: Ca9 Cr O28 P7
• SMILES: [Cr](OP(=O)([O-])[O-])(OP(=O)([O-])[O-])(OP(=O)([O-])[O-])(OP(=O)([O-])[O-])(OP(=O)([O-])[O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
• Title of publication: The whitlockite-related phosphate Ca~9~Cr(PO~4~)~7~
• Authors of publication: Zatovsky, Igor V.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Shishkin, Oleg V.; Slobodyanik, Nikolay S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: i180 - i181
• a: 10.3272 ± 0.0005 Å
• b: 10.3272 ± 0.0005 Å
• c: 37.132 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3429.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0297
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes