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Information card for entry 4125187
Preview
| Coordinates | 4125187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca6 N2 Te3 |
|---|---|
| Calculated formula | Ca6 N2 Te3 |
| SMILES | [N-3].[Ca+2].[N-3].[Te-2].[Ca+2].[Te-2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Te-2] |
| Title of publication | Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3. |
| Authors of publication | Dickman, Matthew J.; Latturner, Susan E. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| a | 12 ± 0.003 Å |
| b | 12 ± 0.003 Å |
| c | 13.147 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1639.5 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.012 |
| Residual factor for significantly intense reflections | 0.0111 |
| Weighted residual factors for significantly intense reflections | 0.0246 |
| Weighted residual factors for all reflections included in the refinement | 0.0249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270074 (current) | 2021-10-24 | cif/4 Fixing Z values and formulae |
4125187.cif |
| 185831 | 2016-08-17 | cif/ Adding structures of 4125187, 4125188 via cif-deposit CGI script. |
4125187.cif |
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Users of the data should acknowledge the original authors of the
structural data.