Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4343169
Preview
| Coordinates | 4343169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Bi S0.91 Se1.09 |
|---|---|
| Calculated formula | Bi S0.912 Se1.088 |
| Title of publication | Coexistence of Monochalocogen and Dichalocogen Ions in BiSe2 and BiS2 Crystals Prepared at High Pressure. |
| Authors of publication | Yamamoto, Ayako; Hashizume, Daisuke; Bahramy, Mohammad Saeed; Tokura, Yoshinori |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 8 |
| Pages of publication | 4114 - 4119 |
| a | 16.367 ± 0.0012 Å |
| b | 4.104 ± 0.0004 Å |
| c | 11.6772 ± 0.0013 Å |
| α | 90° |
| β | 127.401 ± 0.004° |
| γ | 90° |
| Cell volume | 623.1 ± 0.11 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137924 (current) | 2015-06-04 | cif/ Adding structures of 4343169 via cif-deposit CGI script. |
4343169.cif |
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.