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Information card for entry 4002706
Preview
| Coordinates | 4002706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cs Ga Se6 Sn2 |
|---|---|
| Calculated formula | Cs Ga0.99 Se6 Sn2.01 |
| Title of publication | Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit |
| Authors of publication | Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 499 |
| a | 10.518 ± 0.0008 Å |
| b | 10.518 ± 0.0008 Å |
| c | 9.5385 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 913.85 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.016 |
| Residual factor for significantly intense reflections | 0.0153 |
| Weighted residual factors for significantly intense reflections | 0.0297 |
| Weighted residual factors for all reflections included in the refinement | 0.0298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191235 (current) | 2017-02-03 | cif/ Adding structures of 4002706, 4002707 via cif-deposit CGI script. |
4002706.cif |
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