Information card for entry 7708135

Structure parameters

• Formula: B6 Ba1.25 O11 Pb0.75
• Calculated formula: B6 Ba1.25 O11 Pb0.75
• Title of publication: Ba_2.5Pb_1.5B₁₂O₂₂: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba₂B₆O₁₁.
• Authors of publication: Liu, Kaitong; Han, Jian; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 13031 - 13036
• a: 19.051 ± 0.008 Å
• b: 10.726 ± 0.003 Å
• c: 8.612 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No