Information card for entry 7034577

Structure parameters

• Formula: Co1.935 Fe1.065 Na2 O12 P3
• Calculated formula: Co1.945 Fe1.055 Na2 O12 P3
• Title of publication: Alluaudite Na2Co2Fe(PO4)3 as an electroactive material for sodium ion batteries.
• Authors of publication: Essehli, R.; Belharouak, I.; Ben Yahia, H.; Maher, K.; Abouimrane, A.; Orayech, B.; Calder, S.; Zhou, X. L.; Zhou, Z.; Sun, Y.-K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7881 - 7886
• a: 11.7599 ± 0.0003 Å
• b: 12.4522 ± 0.0003 Å
• c: 6.44063 ± 0.00016 Å
• α: 90°
• β: 113.913 ± 0.002°
• γ: 90°
• Cell volume: 862.19 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0113
• Residual factor for significantly intense reflections: 0.0103
• Weighted residual factors for all reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0113
• Goodness-of-fit parameter for all reflections: 0.76
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.413 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No