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Information card for entry 7707059
Preview
| Coordinates | 7707059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H17 Cd F N4 S3 |
|---|---|
| Calculated formula | C11 H17 Cd F N4 S3 |
| Title of publication | A-site cation with high vibrational motion in ABX<sub>3</sub> perovskite effectively induces dielectric phase transition. |
| Authors of publication | Wang, Yu-Zhen; Zhang, Zhi-Xu; Su, Chang-Yuan; Zhang, Tie; Fu, Da-Wei; Zhang, Yi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 11 |
| Pages of publication | 3841 - 3847 |
| a | 14.9579 ± 0.0013 Å |
| b | 10.8069 ± 0.0007 Å |
| c | 20.2117 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3267.2 ± 0.5 Å3 |
| Cell temperature | 283 ± 2 K |
| Ambient diffraction temperature | 283 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.0559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263609 (current) | 2021-04-05 | cif/ Adding structures of 7707059, 7707060 via cif-deposit CGI script. |
7707059.cif |
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Users of the data should acknowledge the original authors of the
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