Information card for entry 7042399

Structure parameters

• Formula: B Ca Cs O3
• Calculated formula: B Ca Cs O3
• SMILES: B([O-])([O-])[O-].[Cs+].[Ca+2]
• Title of publication: ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups.
• Authors of publication: Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 4968 - 4974
• a: 7.572 ± 0.003 Å
• b: 7.572 ± 0.003 Å
• c: 7.572 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 434.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No