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Information card for entry 7709599
Preview
| Coordinates | 7709599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Br2 Cs2 In P S4 |
|---|---|
| Calculated formula | Br2 Cs2 In P S4 |
| Title of publication | The synthesis and structure-property relation analysis of metal chalcohalide crystals Cs2InPS4X2 (X = Cl, Br) with mixed anions |
| Authors of publication | Tang, Chunlan; Xing, Wen-Hao; Wang, Naizheng; Tang, Jian; Lin, Zheshuai; Wu, Jieyun; Yin, Wenlong; Bin, Kang |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 9.8353 ± 0.0004 Å |
| b | 7.9969 ± 0.0003 Å |
| c | 16.4742 ± 0.0006 Å |
| α | 90° |
| β | 97.011 ± 0.004° |
| γ | 90° |
| Cell volume | 1286.04 ± 0.09 Å3 |
| Cell temperature | 296.67 ± 0.1 K |
| Ambient diffraction temperature | 296.67 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0529 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273135 (current) | 2022-02-24 | cif/ Adding structures of 7709599 via cif-deposit CGI script. |
7709599.cif |
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Users of the data should acknowledge the original authors of the
structural data.