Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104542
Preview
| Coordinates | 8104542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba D0.49 Ge |
|---|---|
| Calculated formula | Ba D0.4885 Ge |
| Title of publication | Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction |
| Authors of publication | Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger |
| Journal of publication | Zeitschrift für Kristallographie - Crystalline Materials |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 399 |
| a | 13.1951 ± 0.0015 Å |
| b | 4.2145 ± 0.0002 Å |
| c | 9.9155 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 551.41 ± 0.08 Å3 |
| Cell temperature | 502 ± 2 K |
| Ambient diffraction temperature | 502 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor R(I) for significantly intense reflections | 0.058 |
| Goodness-of-fit parameter for all reflections | 2.48 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.86819 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211347 (current) | 2018-10-07 | cif/ Adding structures of 8104542 via cif-deposit CGI script. |
8104542.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.