Information card for entry 4324644

Structure parameters

• Formula: B7 Cs3 Li4 O14
• Calculated formula: B7 Cs3 Li4 O14
• SMILES: O1[B]2(O[B]3(OB1[O-])OB([O-])OB([O-])O3)OB([O-])OB([O-])O2.[Cs+].[Cs+].[Li+].[Li+].[Cs+].[Li+].[Li+]
• Title of publication: Li4Cs3B7O14: Synthesis, Crystal Structure, and Optical Properties
• Authors of publication: Yun Yang; Shilie Pan; Hongyi Li; Jian Han; Zhaohui Chen; Wenwu Zhao; Zhongxiang Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2415 - 2419
• a: 6.9313 ± 0.0006 Å
• b: 6.9313 ± 0.0006 Å
• c: 26.799 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1115.01 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No