Information card for entry 4128441

Structure parameters

• Formula: B2 Li2 Na2 O5
• Calculated formula: B2 Li2 Na2 O5
• SMILES: B([O-])([O-])OB([O-])[O-].[Na+].[Na+].[Li+].[Li+]
• Title of publication: Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li₂Na₂B₂O₅ Material with an Unvalued B₂O₅ Functional Gene.
• Authors of publication: Zhang, Min; An, Donghai; Hu, Cong; Chen, Xinglong; Yang, Zhihua; Pan, Shilie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 3258 - 3264
• a: 3.313 ± 0.002 Å
• b: 9.985 ± 0.006 Å
• c: 13.4 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 443.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No