Information card for entry 7028672

Structure parameters

• Formula: B12 K3 Li9 O24
• Calculated formula: B12 K3 Li9 O24
• SMILES: [B]123OB([O-])O[B]4(O2)OB([O-])O[B]2(OB([O-])O[B]5(O2)OB([O-])O[B]2(OB([O-])O[B](O2)(OB([O-])O1)O3)O5)O4.[K+].[K+].[Li+].[Li+].[Li+].[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
• Title of publication: New type of complex alkali and alkaline earth metal borates with isolated (B12O24)(12-) anionic group.
• Authors of publication: Wu, Hongping; Yu, Hongwei; Pan, Shilie; Jiao, Anqing; Han, Jian; Wu, Kui; Han, Shujuan; Li, Hongyi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4886 - 4891
• a: 9.2106 ± 0.0012 Å
• b: 9.2106 ± 0.0012 Å
• c: 19.705 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1447.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No