Information card for entry 7034354

Structure parameters

• Formula: B5 Ba2 Br O15 Pb6
• Calculated formula: B5 Ba2 Br O15 Pb6
• Title of publication: Pb6Ba2(BO3)5X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb(2+) and (BO3)(3.).
• Authors of publication: Liu, Lu; Zhang, Bingbing; Zhang, Fangfang; Pan, Shilie; Zhang, Fangyuan; Zhang, Xingwen; Dong, Xiaoyu; Yang, Zhihua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 7041 - 7047
• a: 9.306 ± 0.005 Å
• b: 5.388 ± 0.003 Å
• c: 17.994 ± 0.009 Å
• α: 90°
• β: 101.513 ± 0.006°
• γ: 90°
• Cell volume: 884.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No