Information card for entry 4341160

Structure parameters

• Formula: B6 Br Na2 O10 Rb
• Calculated formula: B6 Br Na2 O10 Rb
• 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: 12.769 ± 0.008 Å
• b: 9.611 ± 0.006 Å
• c: 8.39 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1029.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No