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Information card for entry 7711691
Preview
| Coordinates | 7711691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | P Rb S4 Sr |
|---|---|
| Calculated formula | P Rb S4 Sr |
| Title of publication | Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation. |
| Authors of publication | Huang, Yi; Huang, Junben; Zhang, Yong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| Journal volume | 51 |
| Journal issue | 39 |
| Pages of publication | 15067 - 15073 |
| a | 17.3427 ± 0.0006 Å |
| b | 6.6969 ± 0.0002 Å |
| c | 6.513 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 756.43 ± 0.04 Å3 |
| Cell temperature | 299 K |
| Ambient diffraction temperature | 299 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.0464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278951 (current) | 2022-11-05 | cif/ Adding structures of 7711688, 7711689, 7711690, 7711691, 7711692 via cif-deposit CGI script. |
7711691.cif |
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Users of the data should acknowledge the original authors of the
structural data.