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Information card for entry 7234488
Preview
| Coordinates | 7234488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Ga2 Se6 Sn |
|---|---|
| Calculated formula | Ba Ga2.01 Se6 Sn0.99 |
| Title of publication | BaGa2SnSe6: a new phase-matchable IR nonlinear optical material with strong second harmonic generation response |
| Authors of publication | Xiaoshuang Li; Chao Li; Pifu Gong; Zheshuai Lin; Jiyong Yao; Yicheng Wu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 10998 - 11004 |
| a | 10.1449 ± 0.0014 Å |
| b | 10.1449 ± 0.0014 Å |
| c | 9.249 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 824.4 ± 0.2 Å3 |
| Cell temperature | 153.15 ± 0.02 K |
| Ambient diffraction temperature | 153.15 ± 0.02 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 | 0.0246 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0408 |
| Weighted residual factors for all reflections included in the refinement | 0.0413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.793 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219194 (current) | 2019-10-09 | cif/ Adding structures of 7234488 via cif-deposit CGI script. |
7234488.cif |
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