Information card for entry 4318034

Structure parameters

• Common name: barium iron oxide
• Chemical name: Barium Iron Oxide (3/1/5)
• Formula: Ba3 Fe O5
• Calculated formula: Ba3 Fe O5
• SMILES: [O-][Fe]([O-])([O-])[O-].[O-2].[Ba+2].[Ba+2].[Ba+2]
• Title of publication: Study of the Structural, Electronic, and Magnetic Properties of the Barium-Rich Iron(IV) Oxides, Ba2FeO4 and Ba3FeO5
• Authors of publication: James L. Delattre; Angelica M. Stacy; Victor G. Young,; Gary J. Long; Raphaël Hermann; Fernande Grandjean
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2834 - 2838
• a: 10.3012 ± 0.001 Å
• b: 8.1506 ± 0.0008 Å
• c: 7.6113 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 639.05 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.0925
• Goodness-of-fit parameter for all reflections: 1.184
• Goodness-of-fit parameter for significantly intense reflections: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No