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Information card for entry 1568157
Preview
| Coordinates | 1568157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba2 Cu1.79 O3 S |
|---|---|
| Calculated formula | Ba2 Cu1.79 O3 S |
| 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 | 4.0099 ± 0.0006 Å |
| b | 4.0099 ± 0.0006 Å |
| c | 16.532 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 265.82 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279983 (current) | 2022-12-21 | cif/ Adding structures of 1568157 via cif-deposit CGI script. |
1568157.cif |
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Users of the data should acknowledge the original authors of the
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