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Information card for entry 2108346
Preview
| Coordinates | 2108346.cif |
|---|---|
| Structure factors | 2108346.hkl |
| Original paper (by DOI) | HTML |
| Formula | Br1.17 Cu1.92 O3 Pb0.25 Se0.75 |
|---|---|
| Calculated formula | Br1.175 Cu1.925 O3 Pb0.25 Se0.75 |
| Title of publication | Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets |
| Authors of publication | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 6 |
| Pages of publication | 712 - 724 |
| a | 19.146 ± 0.005 Å |
| b | 6.2686 ± 0.0018 Å |
| c | 17.296 ± 0.005 Å |
| α | 90° |
| β | 99.27 ± 0.007° |
| γ | 90° |
| Cell volume | 2048.7 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212436 (current) | 2018-12-07 | cif/ hkl/ Adding structures of 2108340, 2108341, 2108342, 2108343, 2108344, 2108345, 2108346, 2108347, 2108348 via cif-deposit CGI script. |
2108346.cif 2108346.hkl |
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Users of the data should acknowledge the original authors of the
structural data.