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Information card for entry 4000012
Preview
| Coordinates | 4000012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Nd3.67 O3 Se6 Ti2 |
|---|---|
| Calculated formula | Nd3.713 O3 Se6 Ti2 |
| Title of publication | Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm) |
| Authors of publication | Tougait, Olivier; Ibers, James A. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2000 |
| Journal volume | 12 |
| Journal issue | 9 |
| Pages of publication | 2653 - 2658 |
| a | 28.121 ± 0.006 Å |
| b | 3.8232 ± 0.0008 Å |
| c | 11.179 ± 0.002 Å |
| α | 90° |
| β | 90.15 ± 0.03° |
| γ | 90° |
| Cell volume | 1201.8 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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