Information card for entry 4002728

Structure parameters

• Formula: C2 F2 Fe Na2 O4
• Calculated formula: C2 F2 Fe Na2 O4
• Title of publication: Na2Fe(C2O4)F2: A New Iron-Based Polyoxyanion Cathode for Li/Na Ion Batteries
• Authors of publication: Yao, Wenjiao; Sougrati, Moulay-Tahar; Hoang, Khang; Hui, Jianing; Lightfoot, Philip; Armstrong, A. Robert
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 2167
• a: 15.8349 ± 0.0011 Å
• b: 5.962 ± 0.0004 Å
• c: 12.2784 ± 0.0008 Å
• α: 90°
• β: 111.968 ± 0.007°
• γ: 90°
• Cell volume: 1075.01 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.646
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No