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Information card for entry 2022679
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| Coordinates | 2022679.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Diiridium trisulfide |
|---|---|
| Formula | Ir2 S3 |
| Calculated formula | Ir2 S3 |
| Title of publication | Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite |
| Authors of publication | Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 11 |
| a | 8.4728 ± 0.0003 Å |
| b | 6.01563 ± 0.00018 Å |
| c | 6.1537 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 313.649 ± 0.018 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0293 |
| Weighted residual factors for all reflections included in the refinement | 0.0318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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