Information card for entry 4134320

Structure parameters

• Formula: Ba0.5 F2 H O Te0.5
• Calculated formula: Ba0.5 F2 H O Te0.5
• Title of publication: BaF₂TeF₂(OH)₂: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering.
• Authors of publication: Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.5013 ± 0.0004 Å
• b: 8.6517 ± 0.0004 Å
• c: 4.2142 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 273.5 ± 0.02 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No