Information card for entry 4000818
| Formula |
Hg3 Se4 Tl2 |
| Calculated formula |
Hg3 Se4 Tl2 |
| Title of publication |
Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors |
| Authors of publication |
Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G. |
| Journal of publication |
Chemistry of Materials |
| Year of publication |
2011 |
| Journal volume |
23 |
| Journal issue |
19 |
| Pages of publication |
4375 |
| a |
11.977 ± 0.002 Å |
| b |
6.9264 ± 0.0014 Å |
| c |
13.203 ± 0.003 Å |
| α |
90° |
| β |
116.36 ± 0.03° |
| γ |
90° |
| Cell volume |
981.4 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0705 |
| Residual factor for significantly intense reflections |
0.0589 |
| Weighted residual factors for significantly intense reflections |
0.1307 |
| Weighted residual factors for all reflections included in the refinement |
0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.179 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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