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Information card for entry 1573678
Preview
| Coordinates | 1573678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cu10 S13 Te4 |
|---|---|
| Calculated formula | Cu10.002 S13 Te4 |
| Title of publication | Exploring New Horizons in Mid-to-Far Infrared Nonlinear Optical Crystals: The Significant Potential of Trigonal Pyramidal [TeS3]²⁻ Functional Units |
| Authors of publication | Zhang, Bo; Zhou, Shenghua; Li, Bing-Xuan; Wu, Xintao; Lin, Hua; Zhu, Qi-Long |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 10.2609 ± 0.0001 Å |
| b | 10.2609 ± 0.0001 Å |
| c | 10.2609 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1080.33 ± 0.018 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.0141 |
| Residual factor for significantly intense reflections | 0.0141 |
| Weighted residual factors for significantly intense reflections | 0.0306 |
| Weighted residual factors for all reflections included in the refinement | 0.0306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297278 (current) | 2025-01-11 | cif/ Adding structures of 1573678 via cif-deposit CGI script. |
1573678.cif |
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Users of the data should acknowledge the original authors of the
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