Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003911
Preview
| Coordinates | 4003911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca10.91 Ga0.38 Sb9 |
|---|---|
| Calculated formula | Ca10.9151 Ga0.3759 Sb9 |
| Title of publication | Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder |
| Authors of publication | Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 11.8911 ± 0.0004 Å |
| b | 11.8911 Å |
| c | 17.1962 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2431.51 ± 0.12 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 136 |
| Hermann-Mauguin space group symbol | P 42/m n m |
| Hall space group symbol | -P 4n 2n |
| Residual factor for all reflections | 0.0217 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.0435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263919 (current) | 2021-04-07 | cif/ Adding structures of 4003908, 4003909, 4003910, 4003911, 4003912 via cif-deposit CGI script. |
4003911.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.