Information card for entry 1561367

Structure parameters

• Formula: B Ba O8 P2 Rb
• Calculated formula: B Ba O8 P2 Rb
• Title of publication: Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity
• Authors of publication: Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 243
• Pages of publication: 259 - 266
• a: 7.281 ± 0.0018 Å
• b: 7.281 ± 0.0018 Å
• c: 14.33 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 759.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No