Information card for entry 4102563

Structure parameters

• Formula: Ca3 Li O6 Os
• Calculated formula: Ca3 Li O6 Os
• SMILES: [Ca+2].[Li+].[O-][Os]([O-])([O-])([O-])([O-])[O-].[Ca+2].[Ca+2]
• Title of publication: Crystal Growth and Structure and Magnetic Properties of the 5d Oxide Ca3LiOsO6: Extended Superexchange Magnetic Interaction in Oxide
• Authors of publication: Youguo Shi; Yanfeng Guo; Shan Yu; Masao Arai; Akira Sato; Alexei A. Belik; Kazunari Yamaura; Eiji Takayama-Muromachi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8474 - 8483
• a: 9.2738 ± 0.0002 Å
• b: 9.2738 ± 0.0002 Å
• c: 10.7801 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 802.91 ± 0.04 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No