Information card for entry 1562621

Structure parameters

• Formula: C5 H14 B3 F12 K N2
• Calculated formula: C4.5 H14 B3 F12 K N2
• Title of publication: Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite
• Authors of publication: Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 10.568 ± 0.002 Å
• b: 9.929 ± 0.002 Å
• c: 14.249 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1495.1 ± 0.5 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.77487 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No