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Information card for entry 4002951
Preview
| Coordinates | 4002951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ge Hg Se4 Sr |
|---|---|
| Calculated formula | Ge Hg Se4 Sr |
| Title of publication | BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials |
| Authors of publication | Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 8 |
| Pages of publication | 3034 |
| a | 10.8375 ± 0.0007 Å |
| b | 10.7456 ± 0.0006 Å |
| c | 6.6377 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 773 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 40 |
| Hermann-Mauguin space group symbol | A m a 2 |
| Hall space group symbol | A 2 -2a |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220375 (current) | 2019-10-29 | cif/ Adding structures of 4002951 via cif-deposit CGI script. |
4002951.cif |
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