Information card for entry 4313193

Structure parameters

• Formula: Ba3 Li O9 Os2
• Calculated formula: Ba3 Li O9 Os2
• SMILES: [O-][Os]123(O[Os]3(O1)(O2)([O-])([O-])[O-])([O-])[O-].[Li+].[Ba+2].[Ba+2].[Ba+2]
• Title of publication: Crystal Growth of Novel Osmium-Containing Triple Perovskites
• Authors of publication: Katharine E. Stitzer; Ahmed El Abed; Mark D. Smith; Matthew J. Davis; Seung-Joo Kim; Jacques Darriet; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 947 - 949
• a: 5.8025 ± 0.0001 Å
• b: 5.8025 ± 0.0001 Å
• c: 14.1468 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 412.495 ± 0.015 ų
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for significantly intense reflections: 2.57
• Goodness-of-fit parameter for all reflections included in the refinement: 2.57
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No