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Information card for entry 4004109
Preview
| Coordinates | 4004109.cif |
|---|---|
| Structure factors | 4004109.hkl |
| Original paper (by DOI) | HTML |
| Formula | Cl1.97 Li5.59 O3.97 Si |
|---|---|
| Calculated formula | Cl1.9676 Li5.585 O3.9694 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 | 10.54315 ± 0.000005 Å |
| b | 6.076855 ± 0.000003 Å |
| c | 9.960249 ± 0.000005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 638.145 ± 0.0005 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 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 | 2.95056 |
| Goodness-of-fit parameter for all reflections | 6.30914 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1377 (current) | 2026-02-04 | cif/ hkl/ Adding structures of 4004109 via cif-deposit CGI script. |
4004109.cif 4004109.hkl |
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