Information card for entry 4115317

Structure parameters

• Formula: Ba3 Na O9 Ru2
• Calculated formula: Ba3 Na O9 Ru2
• SMILES: [Ba+2].[Ru]12([O-])([O-])([O-])O[Ru](O1)([O-])(O2)([O-])[O-].[Na+].[Ba+2].[Ba+2]
• Title of publication: Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition
• Authors of publication: Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13877 - 13885
• a: 11.7282 ± 0.0008 Å
• b: 20.3541 ± 0.0013 Å
• c: 14.4856 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3458 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No