Information card for entry 7056068

Structure parameters

• Formula: B3 Be3 F4 Li O9 Sr3
• Calculated formula: B3 Be3 F4 Li O9 Sr3
• SMILES: B([O-])([O-])[O-].[F-].[Li+].[Be+2].[F-].[Sr+2].[Sr+2].B([O-])([O-])[O-].[Be+2].B([O-])([O-])[O-].[F-].[Be+2].[F-].[Sr+2]
• Title of publication: LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers
• Authors of publication: Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 10.3062 ± 0.0015 Å
• b: 10.3062 ± 0.0015 Å
• c: 8.3458 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 767.7 ± 0.2 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No