Information card for entry 4001370

Structure parameters

• Common name: barium cobalt oxyfluorure
• Formula: Ba5 Co5 F O13
• Calculated formula: Ba10 Co10 F2 O25.98
• Title of publication: New BaCoO3-δPolytypes by Rational Substitution of O2-for F-
• Authors of publication: Ehora, Ghislaine; Renard, Catherine; Daviero-Minaud, Sylvie; Mentré, Olivier
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 2924
• a: 5.6878 ± 0.0005 Å
• b: 5.6878 ± 0.0005 Å
• c: 23.701 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 664.03 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No