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Information card for entry 1562920
Preview
| Coordinates | 1562920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Ga2 Ge Se6 |
|---|---|
| Calculated formula | Ba Ga2.01 Ge0.99 Se6 |
| Title of publication | BaGa2GeX6(X=S, Se): New mid-IR nonlinear optical crystals with large band gaps |
| Authors of publication | Lin, Xinsong; Guo, Yifeng; Ye, Ning |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2012 |
| Journal volume | 195 |
| Pages of publication | 172 - 177 |
| a | 10.0438 ± 0.0013 Å |
| b | 10.0438 ± 0.0013 Å |
| c | 9.114 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 796.2 ± 0.2 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265548 (current) | 2021-05-27 | cif/ Adding structures of 1562919, 1562920 via cif-deposit CGI script. |
1562920.cif |
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