Information card for entry 4002952
| 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 |
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https://www.crystallography.net/4002952.html
