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Information card for entry 4003878
Preview
| Coordinates | 4003878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B12 Se15.8 Sn4 |
|---|---|
| Calculated formula | B12 Se15.795 Sn4 |
| Title of publication | Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains |
| Authors of publication | Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 13.5927 ± 0.0007 Å |
| b | 13.5927 ± 0.0007 Å |
| c | 9.8167 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1570.75 ± 0.14 Å3 |
| Cell temperature | 292.98 K |
| Ambient diffraction temperature | 292.98 K |
| Number of distinct elements | 3 |
| Space group number | 182 |
| Hermann-Mauguin space group symbol | P 63 2 2 |
| Hall space group symbol | P 6c 2c |
| Residual factor for all reflections | 0.019 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.0372 |
| Weighted residual factors for all reflections included in the refinement | 0.0378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262281 (current) | 2021-02-27 | cif/ Adding structures of 4003878 via cif-deposit CGI script. |
4003878.cif |
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