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Information card for entry 7242481
Preview
| Coordinates | 7242481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H6 Na3 O27 S6 Y3 |
|---|---|
| Calculated formula | H6 Na3 O27 S6 Y3 |
| Title of publication | Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization |
| Authors of publication | Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 16 |
| Pages of publication | 2945 - 2951 |
| a | 6.8191 ± 0.0003 Å |
| b | 6.8191 ± 0.0003 Å |
| c | 12.7035 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 511.57 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.017 |
| Residual factor for significantly intense reflections | 0.0157 |
| Weighted residual factors for significantly intense reflections | 0.0385 |
| Weighted residual factors for all reflections included in the refinement | 0.0389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265960 (current) | 2021-06-05 | cif/ Updating files of 7242481 Original log message: Adding full bibliography for 7242481.cif. |
7242481.cif |
| 263192 | 2021-03-20 | cif/ Adding structures of 7242481 via cif-deposit CGI script. |
7242481.cif |
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Users of the data should acknowledge the original authors of the
structural data.