Information card for entry 4120695

Structure parameters

• Formula: Ba3 Br O10 P3
• Calculated formula: Ba3 Br O10 P3
• Title of publication: Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).
• Authors of publication: Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 480 - 487
• a: 7.1722 ± 0.0018 Å
• b: 11.364 ± 0.003 Å
• c: 13.998 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1140.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No