Information card for entry 1557132
| Formula |
In8 Ir1.5 S5.25 |
| Calculated formula |
In8 Ir1.5 S5.25 |
| Title of publication |
Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide |
| Authors of publication |
Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G. |
| Journal of publication |
Chemical Science |
| Year of publication |
2020 |
| Journal volume |
11 |
| Journal issue |
3 |
| Pages of publication |
870 - 878 |
| a |
13.9378 ± 0.0012 Å |
| b |
13.9378 ± 0.0012 Å |
| c |
8.2316 ± 0.0008 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
1384.9 ± 0.2 Å3 |
| Cell temperature |
299 ± 2 K |
| Ambient diffraction temperature |
298.94 K |
| Number of distinct elements |
3 |
| Space group number |
157 |
| Hermann-Mauguin space group symbol |
P 3 1 m |
| Hall space group symbol |
P 3 -2 |
| Residual factor for all reflections |
0.0278 |
| Residual factor for significantly intense reflections |
0.0258 |
| Weighted residual factors for significantly intense reflections |
0.0691 |
| Weighted residual factors for all reflections included in the refinement |
0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
| 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/1557132.html
