Information card for entry 7049873

Structure parameters

• Formula: B5 Ba F H0.33 O8.17
• Calculated formula: B5 Ba F H0.3334 O8.1667
• Title of publication: A new barium fluorooxoborate BaB₅O₈F·xH₂O with large birefringence and a wide UV transparency window.
• Authors of publication: Huang, Chunmei; Han, Guopeng; Li, Hao; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6714 - 6717
• a: 11.399 ± 0.003 Å
• b: 9.429 ± 0.003 Å
• c: 13.467 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No