Information card for entry 7033669

Structure parameters

• Formula: Ba Co O2.22
• Calculated formula: Ba Co O2.22
• Title of publication: BaCoO2.22: the most oxygen-deficient certified cubic perovskite.
• Authors of publication: Mentré, Olivier; Iorgulescu, Mihaela; Huvé, Marielle; Kabbour, Houria; Renaut, Nicolas; Daviero-Minaud, Sylvie; Colis, Silviu; Roussel, Pascal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 10728 - 10737
• a: 4.0868 ± 0.0004 Å
• b: 4.0868 ± 0.0004 Å
• c: 4.0868 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 68.257 ± 0.012 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for significantly intense reflections: 2.14
• Goodness-of-fit parameter for all reflections included in the refinement: 2.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No