Information card for entry 7041752

Structure parameters

• Formula: B18 H6 Li10 O60 V12
• Calculated formula: B18 H6 Li10 O60 V12
• SMILES: B1(O)O[B]23O[B]45OB(O)O[B]67O[B]89OB(O)O[B]%10%11O[B]%12%13[O]%14[B]%15(O[B]%16%17OB(O)O[B]%18%19O[B]%20%21[O]%22[B]%23([O]%24[V]%25%26([O]%27[V]%24([O]4[V]4%27([O]7[V]7([O]%13[V]%13([O]%15[V]([O]%25%13)([O]%21%26)([O]%17%18)=O)(=O)[O]47)([O]9%10)=O)=O)([O]2[B](O1)([O]1[V]2%22(=O)[O]%19[V]47([O]%16[V]9%14(=O)[O]%11[V]%10([O]8[V]8([O]56)([O]3[V]1([O]%108)([O]27)=O)=O)([O]49)=O)=O)O%23)=O)=O)OB(O)O%20)OB(O)O%12.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
• Title of publication: A new 3-D open-framework Li-rich vanadoborate and its high ionic conductivity after transforming into glasses.
• Authors of publication: Liu, Xinxin; Zhang, Dan; Li, He; Li, Lingyun; Yuan, Hongming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2479 - 2484
• a: 18.88 ± 0.002 Å
• b: 18.88 ± 0.002 Å
• c: 18.88 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6729.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 201
• Hermann-Mauguin space group symbol: P n -3 :2
• Hall space group symbol: -P 2ab 2bc 3
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No