Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312475
Preview
| Coordinates | 2312475.cif |
|---|---|
| Structure factors | 2312475.hkl |
| Original IUCr paper | HTML |
| Chemical name | Magnesium nickel germanide |
|---|---|
| Formula | Ge29.7 Mg22.3 Ni64 |
| Calculated formula | Ge29.704 Mg22.296 Ni64 |
| Title of publication | Crystal, electronic structure and hydrogenation properties of the Mg<sub>5.57</sub>Ni<sub>16</sub>Ge<sub>7.43</sub> cluster phase with a new type of polyhedron. |
| Authors of publication | Pavlyuk, Nazar; Dmytriv, Grygoriy; Bondaruk, Alina; Ciesielski, Wojciech; Pavlyuk, Volodymyr |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| a | 11.5036 ± 0.0006 Å |
| b | 11.5036 ± 0.0006 Å |
| c | 11.5036 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1522.3 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.0151 |
| Residual factor for significantly intense reflections | 0.0125 |
| Weighted residual factors for significantly intense reflections | 0.0266 |
| Weighted residual factors for all reflections included in the refinement | 0.0282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.247 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291350 (current) | 2024-04-25 | cif/ hkl/ Adding structures of 2312475 via cif-deposit CGI script. |
2312475.cif 2312475.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.