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Information card for entry 7233629
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| Coordinates | 7233629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | sodium titanium disulfide, sodium deficient |
|---|---|
| Formula | Na0.5 S2 Ti |
| Calculated formula | Na0.5 S2 Ti |
| Title of publication | Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it |
| Authors of publication | Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 48 |
| Pages of publication | 27780 |
| a | 3.43273 ± 0.00009 Å |
| b | 3.43273 ± 0.00009 Å |
| c | 21.0014 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 214.318 ± 0.012 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for all reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.0504 |
| Residual factor R(I) for significantly intense reflections | 0.066 |
| Goodness-of-fit parameter for all reflections | 3.35 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217956 (current) | 2019-09-04 | cif/ Adding structures of 7233626, 7233627, 7233628, 7233629, 7233630 via cif-deposit CGI script. |
7233629.cif |
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Users of the data should acknowledge the original authors of the
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