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Information card for entry 4003883
Preview
| Coordinates | 4003883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | Cl2 Li6 O4 Si |
|---|---|
| Calculated formula | Cl2 Li6 O4 Si |
| Title of publication | Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking |
| Authors of publication | Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| Journal volume | 33 |
| Journal issue | 6 |
| Pages of publication | 2206 - 2217 |
| a | 10.5204 ± 0.0008 Å |
| b | 6.0756 ± 0.0004 Å |
| c | 9.953 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 636.17 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| 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 |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4003883.cif |
| 263594 | 2021-04-04 | cif/ Updating files of 4003883 Original log message: Adding full bibliography for 4003883.cif. |
4003883.cif |
| 262421 | 2021-03-04 | cif/ Adding structures of 4003883 via cif-deposit CGI script. |
4003883.cif |
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Users of the data should acknowledge the original authors of the
structural data.