Information card for entry 7031515

Structure parameters

• Formula: B O8 P Pb4
• Calculated formula: B O8 P Pb4
• Title of publication: Structural insights for the design of new borate-phosphates: synthesis, crystal structure and optical properties of Pb4O(BO3)(PO4) and Bi4O3(BO3)(PO4).
• Authors of publication: Wang, Ying; Pan, Shilie; Huang, Shengshi; Dong, Lingyun; Zhang, Min; Han, Shujuan; Wang, Xian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12886
• a: 10.202 ± 0.002 Å
• b: 7.0047 ± 0.0016 Å
• c: 12.921 ± 0.004 Å
• α: 90°
• β: 113.057 ± 0.015°
• γ: 90°
• Cell volume: 849.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No