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Information card for entry 4003894
Preview
| Coordinates | 4003894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Bi6.62 Cl54 Rb23 Sb2.38 |
|---|---|
| Calculated formula | Bi6.623 Cl53.9991 Rb22.9997 Sb2.377 |
| 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 | 12.9752 ± 0.0006 Å |
| b | 12.9752 ± 0.0006 Å |
| c | 112.438 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16393.5 ± 1.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.1204 |
| Residual factor for significantly intense reflections | 0.0864 |
| Weighted residual factors for significantly intense reflections | 0.2231 |
| Weighted residual factors for all reflections included in the refinement | 0.2438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263265 (current) | 2021-03-24 | cif/ Adding structures of 4003894 via cif-deposit CGI script. |
4003894.cif |
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