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Information card for entry 7044390
Preview
| Coordinates | 7044390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba7 S13 Sn3 |
|---|---|
| Calculated formula | Ba6.96 S13 Sn3 |
| Title of publication | Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13 |
| Authors of publication | Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 12.386 ± 0.005 Å |
| b | 24.173 ± 0.011 Å |
| c | 8.872 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2656 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201576 (current) | 2017-10-03 | cif/ Adding structures of 7044389, 7044390, 7044391 via cif-deposit CGI script. |
7044390.cif |
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Users of the data should acknowledge the original authors of the
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