Information card for entry 7042450

Structure parameters

• Formula: Ba6 Li2 O40 P12 Pb3
• Calculated formula: Ba6 Li2 O40 P12 Pb3
• Title of publication: Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.
• Authors of publication: Zhang, Xiangyu; Wu, Hongping; Liu, Qiong; Dong, Xiaoyu; Chen, Yunlei; Yang, Zhihua; Wen, Xiao-Dong; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4678 - 4684
• a: 7.5293 ± 0.0004 Å
• b: 7.8246 ± 0.0004 Å
• c: 15.7265 ± 0.0009 Å
• α: 80.356 ± 0.003°
• β: 84.68 ± 0.003°
• γ: 78.446 ± 0.003°
• Cell volume: 893.22 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No