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Information card for entry 2022291
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| Coordinates | 2022291.cif |
|---|---|
| Structure factors | 2022291.hkl |
| Original IUCr paper | HTML |
| Common name | lithium lead silicon sulfide |
|---|---|
| Chemical name | Dilithium lead silicon tetrasulfide |
| Formula | Li2 Pb S4 Si |
| Calculated formula | Li2 Pb S4 Si |
| SMILES | [S-][Si]([S-])([S-])[S-].[Pb+2].[Li+].[Li+] |
| Title of publication | Synthesis, crystal structure, and electronic structure of Li~2~PbSiS~4~: a quaternary thiosilicate with a compressed chalcopyrite-like structure |
| Authors of publication | Stoyko, Stanislav S.; Craig, Andrew J.; Kotchey, Joshua W.; Aitken, Jennifer A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 1 - 10 |
| a | 6.4618 ± 0.0001 Å |
| b | 6.4618 ± 0.0001 Å |
| c | 7.7333 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 322.903 ± 0.011 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 121 |
| Hermann-Mauguin space group symbol | I -4 2 m |
| Hall space group symbol | I -4 2 |
| Residual factor for all reflections | 0.0157 |
| Residual factor for significantly intense reflections | 0.0155 |
| Weighted residual factors for significantly intense reflections | 0.0278 |
| Weighted residual factors for all reflections included in the refinement | 0.0278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261800 (current) | 2021-02-05 | cif/ Updating files of 2022291 Original log message: Adding full bibliography for 2022291.cif. |
2022291.cif 2022291.hkl |
| 259553 | 2020-12-05 | cif/ hkl/ Adding structures of 2022291 via cif-deposit CGI script. |
2022291.cif 2022291.hkl |
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Users of the data should acknowledge the original authors of the
structural data.