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Information card for entry 1568163
Preview
| Coordinates | 1568163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Cu7 K3 S6 |
|---|---|
| Calculated formula | Ba Cu7 K3 S6 |
| Title of publication | Discovery of chalcogenides structures and compositions using mixed fluxes |
| Authors of publication | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. |
| Journal of publication | Nature |
| Year of publication | 2022 |
| Journal volume | 612 |
| Journal issue | 7938 |
| Pages of publication | 72 - 77 |
| a | 7.2523 ± 0.0002 Å |
| b | 12.4863 ± 0.0003 Å |
| c | 8.3687 ± 0.0002 Å |
| α | 90° |
| β | 106.661 ± 0.001° |
| γ | 90° |
| Cell volume | 726.01 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0182 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.0449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279989 (current) | 2022-12-21 | cif/ Adding structures of 1568163 via cif-deposit CGI script. |
1568163.cif |
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Users of the data should acknowledge the original authors of the
structural data.