Information card for entry 2222666

Structure parameters

• Chemical name: calcium triiron(III) tris(phosphate) oxide
• Formula: Ca Fe3 O13 P3
• Calculated formula: Ca Fe3 O13 P3
• Title of publication: The iron phosphate CaFe~3~(PO~4~)~3~O
• Authors of publication: Hidouri, Mourad; Ben Amara, Mongi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: i66
• a: 7.521 ± 0.002 Å
• b: 6.33 ± 0.002 Å
• c: 10.16 ± 0.002 Å
• α: 90°
• β: 100.03 ± 0.02°
• γ: 90°
• Cell volume: 476.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes