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Information card for entry 2242228
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| Coordinates | 2242228.cif |
|---|---|
| Structure factors | 2242228.hkl |
| Original IUCr paper | HTML |
| Chemical name | Barium copper(II) tantalum(V) trisulfide |
|---|---|
| Formula | Ba Cu0.34 S3 Ta0.66 |
| Calculated formula | Ba Cu0.3334 S3 Ta0.6666 |
| Title of publication | Crystal structure of the mixed-metal trisulfide BaCu~1/3~Ta~2/3~S~3~ |
| Authors of publication | Bu, Kejun; He, Jianqiao; Wang, Dong; Zheng, Chong; Huang, Fuqiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 5 |
| Pages of publication | 713 - 715 |
| a | 6.835 ± 0.0006 Å |
| b | 6.835 ± 0.0006 Å |
| c | 5.8318 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 235.94 ± 0.04 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199193 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242228 via cif-deposit CGI script. |
2242228.cif 2242228.hkl |
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