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Information card for entry 7044782
Preview
| Coordinates | 7044782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Sc Te2 Tl0.975 |
|---|---|
| Calculated formula | Sc Te2 Tl0.9753 |
| Title of publication | Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te |
| Authors of publication | Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 4.2173 ± 0.0006 Å |
| b | 4.2173 ± 0.0006 Å |
| c | 24.112 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 371.39 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0124 |
| Residual factor for significantly intense reflections | 0.0123 |
| Weighted residual factors for significantly intense reflections | 0.0283 |
| Weighted residual factors for all reflections included in the refinement | 0.0284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203226 (current) | 2017-11-16 | cif/ Adding structures of 7044782, 7044783 via cif-deposit CGI script. |
7044782.cif |
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Users of the data should acknowledge the original authors of the
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