Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547493
Preview
| Coordinates | 1547493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba8 Cu14 Ge6 P26 |
|---|---|
| Calculated formula | Ba8 Cu13.988 Ge6.008 P25.998 |
| Title of publication | High-efficiency Thermoelectric Ba8Cu14Ge6P26: Bridging the gap between tetrel-based and tetrel-free clathrates |
| Authors of publication | Wang, Jian; Lebedev, Oleg I.; Lee, Kathleen; Dolyniuk, Juli-Anna; Klavins, Peter; Bux, Sabah K.; Kovnir, Kirill |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 10.0626 ± 0.0008 Å |
| b | 10.0626 ± 0.0008 Å |
| c | 10.0626 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1018.9 ± 0.14 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 223 |
| Hermann-Mauguin space group symbol | P m -3 n |
| Hall space group symbol | -P 4n 2 3 |
| Residual factor for all reflections | 0.0189 |
| Residual factor for significantly intense reflections | 0.0164 |
| Weighted residual factors for significantly intense reflections | 0.0309 |
| Weighted residual factors for all reflections included in the refinement | 0.0317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201539 (current) | 2017-09-30 | cif/ Adding structures of 1547493 via cif-deposit CGI script. |
1547493.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.