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Information card for entry 4003921
Preview
| Coordinates | 4003921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CsSb5S8 |
|---|---|
| Formula | Cs S8 Sb5 |
| Calculated formula | Cs S8 Sb5 |
| Title of publication | ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation |
| Authors of publication | Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 3729 - 3735 |
| a | 11.7811 ± 0.0003 Å |
| b | 8.8645 ± 0.0002 Å |
| c | 15.8103 ± 0.0004 Å |
| α | 90° |
| β | 104.688 ± 0.003° |
| γ | 90° |
| Cell volume | 1597.17 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0182 |
| Residual factor for significantly intense reflections | 0.0164 |
| Weighted residual factors for significantly intense reflections | 0.0376 |
| Weighted residual factors for all reflections included in the refinement | 0.0382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265754 (current) | 2021-06-04 | cif/ Updating files of 4003920, 4003921, 4003922 Original log message: Adding full bibliography for 4003920--4003922.cif. |
4003921.cif |
| 265109 | 2021-05-12 | cif/ Adding structures of 4003921 via cif-deposit CGI script. |
4003921.cif |
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Users of the data should acknowledge the original authors of the
structural data.