Information card for entry 7700713

Structure parameters

• Formula: B3 I3 O13 Pb10
• Calculated formula: B3 I3 O13 Pb10
• Title of publication: Pb₁₀O₄(BO₃)₃I₃: a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method.
• Authors of publication: Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 14996 - 15001
• a: 16.6423 ± 0.0005 Å
• b: 9.0277 ± 0.0003 Å
• c: 16.9746 ± 0.0005 Å
• α: 90°
• β: 115.658 ± 0.001°
• γ: 90°
• Cell volume: 2298.82 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No