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Information card for entry 4003893
Preview
| Coordinates | 4003893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl5 O Rb2 Sb |
|---|---|
| Calculated formula | Cl5 O Rb2 Sb |
| Title of publication | Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7) |
| Authors of publication | Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 14.0332 ± 0.0006 Å |
| b | 10.1091 ± 0.0004 Å |
| c | 7.2292 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1025.56 ± 0.07 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263264 (current) | 2021-03-24 | cif/ Adding structures of 4003893 via cif-deposit CGI script. |
4003893.cif |
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Users of the data should acknowledge the original authors of the
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