Information card for entry 4341162

Structure parameters

• Formula: B6 Cl Na3 O10
• Calculated formula: B6 Cl Na3 O10
• Title of publication: Effect of halogen (cl, br) on the symmetry of flexible perovskite-related framework.
• Authors of publication: Bai, Chunyan; Yu, Hongwei; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Wang, Ying; Wu, Hongping; Yang, Zhihua
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11213 - 11220
• a: 7.437 ± 0.008 Å
• b: 9.938 ± 0.011 Å
• c: 12.804 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 946.3 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No