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Information card for entry 1567667
Preview
| Coordinates | 1567667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cd S4 Si Sr |
|---|---|
| Calculated formula | Cd S4 Si Sr |
| Title of publication | Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties |
| Authors of publication | Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 36 |
| Pages of publication | 10725 - 10733 |
| a | 10.2821 ± 0.0007 Å |
| b | 10.1551 ± 0.0009 Å |
| c | 6.3699 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 665.12 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 40 |
| Hermann-Mauguin space group symbol | A m a 2 |
| Hall space group symbol | A 2 -2a |
| Residual factor for all reflections | 0.0217 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278050 (current) | 2022-09-22 | cif/ Adding structures of 1567667, 1567668 via cif-deposit CGI script. |
1567667.cif |
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