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Information card for entry 7240511
Preview
| Coordinates | 7240511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | O5 Pb1.5 Sb5 Se8 Sr4 |
|---|---|
| Calculated formula | O5 Pb1.5 Sb5 Se8 Sr4 |
| Title of publication | Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response |
| Authors of publication | Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 18.8403 ± 0.0015 Å |
| b | 4.2335 ± 0.0003 Å |
| c | 15.3364 ± 0.0012 Å |
| α | 90° |
| β | 95.068 ± 0.003° |
| γ | 90° |
| Cell volume | 1218.46 ± 0.16 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252036 (current) | 2020-05-14 | cif/ Adding structures of 7240511 via cif-deposit CGI script. |
7240511.cif |
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