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Information card for entry 2021004
Preview
| Coordinates | 2021004.cif |
|---|---|
| Structure factors | 2021004.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octabismuth undecacalcium diindium |
|---|---|
| Formula | Bi8.27 Ca11 In1.73 |
| Calculated formula | Bi8.282 Ca11 In1.718 |
| Title of publication | On the effect of Ga and In substitutions in the Ca~11~Bi~10~ and Yb~11~Bi~10~ bismuthides crystallizing in the tetragonal Ho~11~Ge~10~ structure type |
| Authors of publication | Ovchinnikov, Alexander; Bobev, Svilen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| a | 12.3534 ± 0.0019 Å |
| b | 12.3534 Å |
| c | 17.433 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2660.4 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206448 (current) | 2018-02-15 | cif/ hkl/ Adding structures of 2021004 via cif-deposit CGI script. |
2021004.cif 2021004.hkl |
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Users of the data should acknowledge the original authors of the
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