Information card for entry 7018932
| Formula |
Ba Ga2 Se6 Si |
| Calculated formula |
Ba Ga2.01 Se6 Si0.99 |
| Title of publication |
BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials. |
| Authors of publication |
Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2012 |
| Journal volume |
41 |
| Journal issue |
18 |
| Pages of publication |
5653 - 5661 |
| a |
9.9666 ± 0.0014 Å |
| b |
9.9666 ± 0.0014 Å |
| c |
9.0471 ± 0.0018 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
778.3 ± 0.2 Å3 |
| Cell temperature |
93 ± 2 K |
| Ambient diffraction temperature |
93 ± 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 |
0.0486 |
| Residual factor for significantly intense reflections |
0.0443 |
| Weighted residual factors for significantly intense reflections |
0.0878 |
| Weighted residual factors for all reflections included in the refinement |
0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.836 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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