Information card for entry 2238071

Structure parameters

• Chemical name: Silver(I) decacalcium heptakis(orthophosphate)
• Formula: Ag Ca10 O28 P7
• Calculated formula: Ag Ca10 O28 P7
• SMILES: [Ag](OP(=O)(O)O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-]
• Title of publication: Rietveld refinement of AgCa~10~(PO~4~)~7~ from X-ray powder data
• Authors of publication: Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: i23
• a: 10.43723 ± 0.00005 Å
• b: 10.43723 ± 0.00005 Å
• c: 37.3379 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3522.5 ± 0.07 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 all reflections: 0.038
• Goodness-of-fit parameter for all reflections: 2.97
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No