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Information card for entry 4503568
Preview
| Coordinates | 4503568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cs2 Hg3 I8 |
|---|---|
| Calculated formula | Cs2 Hg3 I8 |
| Title of publication | Synthesis, Characterization, and Crystal Growth of Cs2Hg3I8: A New Second-Order Nonlinear Optical Material |
| Authors of publication | Zhang, Gang; Qin, Jingui; Liu, Tao; Zhu, Tianxiang; Fu, Peizhen; Wu, Yicheng; Chen, Chuangtian |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 8 |
| Pages of publication | 2946 |
| a | 7.4415 ± 0.0006 Å |
| b | 21.6629 ± 0.0018 Å |
| c | 7.6726 ± 0.0006 Å |
| α | 90° |
| β | 108.05 ± 0.001° |
| γ | 90° |
| Cell volume | 1175.99 ± 0.16 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179569 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35. |
4503568.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503568.cif |
| 41635 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503568 via cif-deposit CGI script. |
4503568.cif |
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Users of the data should acknowledge the original authors of the
structural data.