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Information card for entry 1577454
Preview
| Coordinates | 1577454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl0.113 I0.887 Li7 S7 Si2 |
|---|---|
| Calculated formula | Cl0.1127 I0.8873 Li6.994 S7 Si2 |
| Title of publication | Superionic Lithium Mobility in Low Symmetry Li7Si2S7I Polymorph Accessed via Si2S7 Dimer Reorientation |
| Authors of publication | Han, Guopeng; Collins, Christopher M.; Sonni, Manel; Daniels, Luke M.; Vasylenko, Andrij; Chen, Ruiyong; Robertson, Craig; Dyer, Matthew Stephen; Claridge, John B.; Rosseinsky, Matthew J. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 9.0428 ± 0.0006 Å |
| b | 6.039 ± 0.0004 Å |
| c | 12.0347 ± 0.0006 Å |
| α | 89.794 ± 0.004° |
| β | 90.905 ± 0.005° |
| γ | 90.48 ± 0.005° |
| Cell volume | 657.1 ± 0.07 Å3 |
| Cell temperature | 300 ± 0.1 K |
| Ambient diffraction temperature | 300 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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