Information card for entry 2228054

Structure parameters

• Chemical name: diiron(III) borotriphosphate
• Formula: B Fe2 O12 P3
• Calculated formula: B Fe2 O12 P3
• Title of publication: Redetermination of Fe~2~[BP~3~O~12~]
• Authors of publication: Li, Fei Fei; Zhang, Hui Ju; Zhang, Li Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: i63
• a: 8.0347 ± 0.0008 Å
• b: 8.0347 ± 0.0008 Å
• c: 7.4163 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 414.63 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes