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Information card for entry 4001680
Preview
| Coordinates | 4001680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cd4 Cs Ga5 S12 |
|---|---|
| Calculated formula | Cd3.9999 Cs Ga5.01 S12 |
| Title of publication | Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs) |
| Authors of publication | Lin, Hua; Zhou, Liu-Jiang; Chen, Ling |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2012 |
| Journal volume | 24 |
| Journal issue | 17 |
| Pages of publication | 3406 |
| a | 13.8639 ± 0.0005 Å |
| b | 13.8639 ± 0.0005 Å |
| c | 9.3974 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1564.26 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0227 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0438 |
| Weighted residual factors for all reflections included in the refinement | 0.0441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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