Information card for entry 7218932

Structure parameters

• Common name: NSBBF
• Formula: B3 Be3 F4 Na O9 Sr3
• Calculated formula: B3 Be3 F4 Na O9 Sr3
• SMILES: B([O-])([O-])[O-].[Be+2].[F-].[F-].[Na+].[Sr+2].B([O-])([O-])[O-].B([O-])([O-])[O-].[Be+2].[Be+2].[F-].[F-].[Sr+2].[Sr+2]
• Title of publication: Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4
• Authors of publication: Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 925
• a: 10.4466 ± 0.0013 Å
• b: 10.4466 ± 0.0013 Å
• c: 8.3093 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 785.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0305
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.64
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No