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