Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573926
Preview
| Coordinates | 1573926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Li N0.25 |
|---|---|
| Calculated formula | Ba Li0.5 N0.5 |
| Title of publication | Synthesis and crystal structure of LiBa2N and identification of LiBa3N |
| Authors of publication | Smetana, Volodymyr; Babizhetskyy, Volodymyr; Vajenine, Grigori V.; Simon, Arndt |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2007 |
| Journal volume | 180 |
| Journal issue | 6 |
| Pages of publication | 1889 - 1893 |
| a | 7.98 ± 0.005 Å |
| b | 7.98 ± 0.005 Å |
| c | 14.263 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 908.3 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 137 |
| Hermann-Mauguin space group symbol | P 42/n m c :2 |
| Hall space group symbol | -P 4ac 2a |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0766 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297760 (current) | 2025-02-16 | cif/ Adding structures of 1573926 via cif-deposit CGI script. |
1573926.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.