Information card for entry 4001949
| Formula |
Ba Cu0.25 Ga1.25 Se3 |
| Calculated formula |
Ba Cu0.25 Ga1.25 Se3 |
| Title of publication |
New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response |
| Authors of publication |
Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang |
| Journal of publication |
Chemistry of Materials |
| Year of publication |
2013 |
| Journal volume |
25 |
| Journal issue |
12 |
| Pages of publication |
2427 |
| a |
13.5975 ± 0.0014 Å |
| b |
13.5975 ± 0.0014 Å |
| c |
6.5266 ± 0.0013 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1206.7 ± 0.3 Å3 |
| Cell temperature |
294 ± 2 K |
| Ambient diffraction temperature |
294 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
114 |
| Hermann-Mauguin space group symbol |
P -4 21 c |
| Hall space group symbol |
P -4 2n |
| Residual factor for all reflections |
0.0278 |
| Residual factor for significantly intense reflections |
0.0264 |
| Weighted residual factors for significantly intense reflections |
0.0665 |
| Weighted residual factors for all reflections included in the refinement |
0.0673 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.138 |
| 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/4001949.html
