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Information card for entry 2022652
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| Coordinates | 2022652.cif |
|---|---|
| Structure factors | 2022652.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetralithium cadmium digermanium heptasulfide |
|---|---|
| Formula | Cd Ge2 Li4 S7 |
| Calculated formula | Cd Ge2 Li4 S7 |
| Title of publication | Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite |
| Authors of publication | Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 9 |
| a | 16.8354 ± 0.001 Å |
| b | 6.787 ± 0.0004 Å |
| c | 10.1499 ± 0.0006 Å |
| α | 90° |
| β | 93.71 ± 0.003° |
| γ | 90° |
| Cell volume | 1157.32 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0104 |
| Residual factor for significantly intense reflections | 0.0102 |
| Weighted residual factors for significantly intense reflections | 0.0239 |
| Weighted residual factors for all reflections included in the refinement | 0.0239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277355 (current) | 2022-08-23 | cif/ hkl/ Adding structures of 2022652 via cif-deposit CGI script. |
2022652.cif 2022652.hkl |
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