Information card for entry 2242153

Structure parameters

• Chemical name: Calcium dinickel(II) iron(III) tris(orthophosphate)
• Formula: Ca Fe Ni2 O12 P3
• Calculated formula: Ca Fe Ni2 O12 P3
• Title of publication: Crystal structure of calcium dinickel(II) iron(III) tris(orthophosphate): CaNi~2~Fe(PO~4~)~3~
• Authors of publication: Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 893 - 895
• a: 10.3126 ± 0.0003 Å
• b: 13.1138 ± 0.0003 Å
• c: 6.4405 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 871 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes