Information card for entry 7205565

Structure parameters

• Formula: B5 Cs2 Li3 O10
• Calculated formula: B5 Cs2 Li3 O10
• SMILES: B1([O-])OB([O-])O[B]2(OB([O-])OB([O-])O2)O1.[Cs+].[Cs+].[Li+].[Li+].[Li+]
• Title of publication: A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10
• Authors of publication: Yang, Yun; Pan, Shilie; Hou, Xueling; Wang, Chuanyi; Poeppelmeier, Kenneth R.; Chen, Zhaohui; Wu, Hongping; Zhou, Zhongxiang
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 2890
• a: 7.2256 ± 0.0002 Å
• b: 11.6583 ± 0.0004 Å
• c: 12.7817 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1076.71 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No