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Information card for entry 1549419
Preview
| Coordinates | 1549419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Na2Ga2GeSSe5 |
|---|---|
| Chemical name | Na2Ga2GeSSe5 |
| Formula | Ga2 Ge Na2 S Se5 |
| Calculated formula | Ga2 Ge Na2 S Se5 |
| Title of publication | New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold. |
| Authors of publication | Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 26 |
| Pages of publication | 5700 - 5708 |
| a | 12.987 ± 0.01 Å |
| b | 23.653 ± 0.017 Å |
| c | 7.519 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2310 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228706 (current) | 2019-11-17 | cif/ Updating files of 1549419, 1549420, 1549421, 1549422 Original log message: Adding full bibliography for 1549419--1549422.cif. |
1549419.cif |
| 207806 | 2018-05-16 | cif/ Adding structures of 1549419, 1549420, 1549421, 1549422 via cif-deposit CGI script. |
1549419.cif |
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Users of the data should acknowledge the original authors of the
structural data.