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Information card for entry 2002988
Preview
| Coordinates | 2002988.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | In1.2 Se2 Tl0.8 |
|---|---|
| Calculated formula | In1.2 Se2 Tl0.8 |
| Title of publication | X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 |
| Authors of publication | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 358 - 364 |
| a | 8.056 ± 0.001 Å |
| b | 8.056 ± 0.001 Å |
| c | 6.826 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 443 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 140 |
| Hermann-Mauguin space group symbol | I 4/m c m |
| Hall space group symbol | -I 4 2c |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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