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Information card for entry 1562707
Preview
| Coordinates | 1562707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba2 Cu2 S5 Th |
|---|---|
| Calculated formula | Ba2 Cu2 S5 Th |
| Title of publication | Synthesis, crystal structure, and optical properties of Ba2Cu2ThS5, and electronic structures of Ba2Cu2ThS5 and Ba2Cu2US5 |
| Authors of publication | Mesbah, Adel; Lebègue, Sébastien; Klingsporn, Jordan M.; Stojko, Wojciech; Van Duyne, Richard P.; Ibers, James A. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2013 |
| Journal volume | 200 |
| Pages of publication | 349 - 353 |
| a | 13.5616 ± 0.0008 Å |
| b | 4.1159 ± 0.0002 Å |
| c | 9.3548 ± 0.0006 Å |
| α | 90° |
| β | 115.891 ± 0.004° |
| γ | 90° |
| Cell volume | 469.76 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.0477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265365 (current) | 2021-05-20 | cif/ Adding structures of 1562707 via cif-deposit CGI script. |
1562707.cif |
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