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Information card for entry 1562621
Preview
Coordinates | 1562621.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H14 B3 F12 K N2 |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
265286 (current) | 2021-05-18 | cif/ Adding structures of 1562620, 1562621, 1562622, 1562623 via cif-deposit CGI script. |
1562621.cif |
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Users of the data should acknowledge the original authors of the
structural data.