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Information card for entry 4002952
Preview
| Coordinates | 4002952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Ge Hg Se4 |
|---|---|
| Calculated formula | Ba Ge Hg Se4 |
| 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 | 11.255 ± 0.002 Å |
| b | 11.033 ± 0.002 Å |
| c | 6.6847 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 830.1 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220376 (current) | 2019-10-29 | cif/ Adding structures of 4002952 via cif-deposit CGI script. |
4002952.cif |
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