Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2107512
Preview
| Coordinates | 2107512.cif |
|---|---|
| Structure factors | 2107512.hkl |
| Original IUCr paper | HTML |
| Common name | Tin Selenide |
|---|---|
| Formula | Se Sn0.9816 |
| Calculated formula | Se Sn0.9816 |
| Title of publication | Crystal structure and phase transition of thermoelectric SnSe |
| Authors of publication | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 310 - 316 |
| a | 11.51746 ± 0.00014 Å |
| b | 4.16192 ± 0.00006 Å |
| c | 4.43267 ± 0.00008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 212.479 ± 0.006 Å3 |
| Cell temperature | 370 ± 5 K |
| Ambient diffraction temperature | 370 ± 5 K |
| Number of distinct elements | 2 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0154 |
| Residual factor for significantly intense reflections | 0.0154 |
| Weighted residual factors for all reflections | 0.012 |
| Weighted residual factors for significantly intense reflections | 0.012 |
| Goodness-of-fit parameter for all reflections | 2.76 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.50023 Å |
| Diffraction radiation type | Synchrotron,monochromatic |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183633 (current) | 2016-06-17 | cif/ Updating files of 2107508, 2107509, 2107510, 2107511, 2107512, 2107513, 2107514, 2107515, 2107516, 2107517, 2107518, 2107519, 2107520 Original log message: Adding full bibliography for 2107508--2107520.cif. |
2107512.cif 2107512.hkl |
| 182944 | 2016-05-14 | cif/ hkl/ Adding structures of 2107508, 2107509, 2107510, 2107511, 2107512, 2107513, 2107514, 2107515, 2107516, 2107517, 2107518, 2107519, 2107520 via cif-deposit CGI script. |
2107512.cif 2107512.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.