Information card for entry 2240761

Structure parameters

• Chemical name: Disodium dizinc iron(III) tris(phosphate)
• Formula: Fe1.33 Na1.67 O12 P3 Zn1.67
• Calculated formula: Fe1.336 Na1.664 O12 P3 Zn1.664
• Title of publication: Crystal structure of a sodium, zinc and iron(III)-based non-stoichiometric phosphate with an alluaudite-like structure: Na~1.67~Zn~1.67~Fe~1.33~(PO~4~)~3~
• Authors of publication: Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 690 - 692
• a: 11.7545 ± 0.0004 Å
• b: 12.508 ± 0.0004 Å
• c: 6.4014 ± 0.0002 Å
• α: 90°
• β: 113.507 ± 0.001°
• γ: 90°
• Cell volume: 863.06 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes