Information card for entry 2218901

Structure parameters

• Chemical name: sodium barium diiron tris(phosphate)
• Formula: Ba Fe2 Na O12 P3
• Calculated formula: Ba Fe2 Na O12 P3
• Title of publication: The iron phosphate NaBaFe~2~(PO~4~)~3~
• Authors of publication: Hidouri, Mourad; Jerbi, Hasna; Ben Amara, Mongi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: i51
• a: 9.796 ± 0.001 Å
• b: 9.796 ± 0.001 Å
• c: 9.796 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 940.04 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes