Information card for entry 7705276

Structure parameters

• Formula: Br Nb O8 Pb2 Se2
• Calculated formula: Br Nb O8 Pb2 Se2
• Title of publication: Selenite bromide nonlinear optical materials Pb₂GaF₂(SeO₃)₂Br and Pb₂NbO₂(SeO₃)₂Br: synthesis and characterization.
• Authors of publication: Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 14046 - 14051
• a: 8.5893 ± 0.0009 Å
• b: 5.4553 ± 0.0004 Å
• c: 10.8098 ± 0.001 Å
• α: 90°
• β: 111.962 ± 0.012°
• γ: 90°
• Cell volume: 469.76 ± 0.08 ų
• Cell temperature: 296.29 ± 0.1 K
• Ambient diffraction temperature: 296.29 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No