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Information card for entry 4517545
Preview
| Coordinates | 4517545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | In2 Se3 |
|---|---|
| Calculated formula | In2 Se3 |
| Title of publication | Hexagonal In<sub>2</sub>Se<sub>3</sub>: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe<sub>5</sub> Unit. |
| Authors of publication | Chi, Yang; Sun, Zong-Dong; Xu, Qian-Ting; Xue, Huai-Guo; Guo, Sheng-Ping |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 7.1231 ± 0.0003 Å |
| b | 7.1231 ± 0.0003 Å |
| c | 19.3925 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 852.12 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.232 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250000 (current) | 2020-04-04 | cif/ Adding structures of 4517545 via cif-deposit CGI script. |
4517545.cif |
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Users of the data should acknowledge the original authors of the
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