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Information card for entry 1547274
Preview
| Coordinates | 1547274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba D1.56 Ge |
|---|---|
| Calculated formula | Ba D1.55967 Ge |
| Title of publication | Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds |
| Authors of publication | Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger |
| Journal of publication | Angewandte Chemie International Edition |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 40 |
| Pages of publication | 12344 - 12347 |
| a | 15.804 ± 0.003 Å |
| b | 4.2293 ± 0.0006 Å |
| c | 25.855 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1728.1 ± 0.5 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 3.03 |
| Goodness-of-fit parameter for all reflections | 2.14 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.79725 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201106 (current) | 2017-09-21 | cif/ Adding structures of 1547274 via cif-deposit CGI script. |
1547274.cif |
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Users of the data should acknowledge the original authors of the
structural data.