Information card for entry 7130388

Structure parameters

• Formula: B F H3 K O3
• Calculated formula: B F H3 K O3
• Title of publication: KF·B(OH)3: a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency
• Authors of publication: Li, Yang; Chen, Xinglong; Ok, Kang Min
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 5.4454 ± 0.0003 Å
• b: 10.6284 ± 0.0007 Å
• c: 7.0024 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 405.27 ± 0.04 ų
• Cell temperature: 297.15 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No