Information card for entry 7122816

Structure parameters

• Formula: B14 Cs2 Li8 Na4 O28
• Calculated formula: B14 Cs2 Li8 Na4 O28
• SMILES: [Cs+].[Na+].[Na+].[Li+].[Li+].[Li+].[Li+].[B]12(O[B]3(OB([O-])O[B]4(OB([O-])OB([O-])O4)O3)OB([O-])O1)O[B]1(O[B]3(OB([O-])O[B]4(OB([O-])OB([O-])O4)O3)OB([O-])O1)O2.[Cs+].[Na+].[Na+].[Li+].[Li+].[Li+].[Li+]
• Title of publication: Li₄Na₂CsB₇O₁₄: a new edge-sharing [BO₄]^5- tetrahedra containing borate with high anisotropic thermal expansion.
• Authors of publication: Mutailipu, Miriding; Zhang, Min; Li, Hao; Fan, Xiao; Yang, Zhihua; Jin, Shifeng; Wang, Gang; Pan, Shilie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• a: 6.9395 ± 0.0017 Å
• b: 8.842 ± 0.002 Å
• c: 10.522 ± 0.003 Å
• α: 95.774 ± 0.003°
• β: 105.704 ± 0.002°
• γ: 97.395 ± 0.003°
• Cell volume: 610.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No