Information card for entry 1562622

Structure parameters

• Formula: C5 H14 B3 F12 K N2
• Calculated formula: C5 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: 10.5005 ± 0.0004 Å
• b: 9.7685 ± 0.0004 Å
• c: 14.0216 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1438.25 ± 0.1 ų
• Cell temperature: 338 ± 2 K
• Ambient diffraction temperature: 338 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.77487 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No