Information card for entry 7233480

Structure parameters

• Formula: B Ba Cl F4
• Calculated formula: B Ba Cl F4
• Title of publication: BaClBF4: a new noncentrosymmetric pseudo-Aurivillius type material with transparency range from deep UV to middle IR and a high laser damage threshold
• Authors of publication: Min Zhang; Shilie Pan; Zhihua Yang; Ying Wang; Xin Su; Yun Yang; Zhenjun Huang; Shujuan Han; Kenneth R. Poeppelmeier
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 4740 - 4745
• a: 5.228 ± 0.003 Å
• b: 9.351 ± 0.005 Å
• c: 4.734 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 231.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0184
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No