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Information card for entry 4003449
Preview
| Coordinates | 4003449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F4 I K5 O12 W3 |
|---|---|
| Calculated formula | F4 I K5 O12 W3 |
| Title of publication | K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold |
| Authors of publication | Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 24 |
| Pages of publication | 10100 |
| a | 9.7129 ± 0.0005 Å |
| b | 3.7122 ± 0.0002 Å |
| c | 10.9575 ± 0.0005 Å |
| α | 90° |
| β | 102.007 ± 0.001° |
| γ | 90° |
| Cell volume | 386.44 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 6 |
| Hermann-Mauguin space group symbol | P 1 m 1 |
| Hall space group symbol | P -2y |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246543 (current) | 2020-01-04 | cif/ Updating files of 4003449 Original log message: Adding full bibliography for 4003449.cif. |
4003449.cif |
| 245196 | 2019-12-15 | cif/ Adding structures of 4003449 via cif-deposit CGI script. |
4003449.cif |
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Users of the data should acknowledge the original authors of the
structural data.