Information card for entry 7018930
| Formula |
Ba Ga2 Ge Se6 |
| Calculated formula |
Ba Ga2.01 Ge0.99 Se6 |
| 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 |
10.0075 ± 0.0014 Å |
| b |
10.0075 ± 0.0014 Å |
| c |
9.0903 ± 0.0018 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
788.4 ± 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 |
0.0288 |
| Residual factor for significantly intense reflections |
0.0266 |
| Weighted residual factors for significantly intense reflections |
0.0505 |
| Weighted residual factors for all reflections included in the refinement |
0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.846 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7018930.html
