Information card for entry 4115315

Structure parameters

• Formula: Ba3 Li O9 Ru2
• Calculated formula: Ba3 Li O9 Ru2
• SMILES: O1[Ru]23([O-])([O-])(O[Ru]13(O2)([O-])([O-])[O-])[O-].[Ba+2].[Li+].[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: 5.782 ± 0.0002 Å
• b: 5.782 ± 0.0002 Å
• c: 14.149 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 409.65 ± 0.03 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: 0.0368
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No