Information card for entry 7228411
| Formula |
Ba Cu2 Ge Se4 |
| Calculated formula |
Ba Cu2 Ge Se4 |
| Title of publication |
BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations |
| Authors of publication |
Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie |
| Journal of publication |
RSC Adv. |
| Year of publication |
2017 |
| Journal volume |
7 |
| Journal issue |
47 |
| Pages of publication |
29378 |
| a |
6.5014 ± 0.0006 Å |
| b |
6.5014 ± 0.0006 Å |
| c |
16.266 ± 0.003 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
595.42 ± 0.13 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
152 |
| Hermann-Mauguin space group symbol |
P 31 2 1 |
| Hall space group symbol |
P 31 2" |
| Residual factor for all reflections |
0.0287 |
| Residual factor for significantly intense reflections |
0.0281 |
| Weighted residual factors for significantly intense reflections |
0.0659 |
| Weighted residual factors for all reflections included in the refinement |
0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
| 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/7228411.html
