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Information card for entry 4003215
Preview
| Coordinates | 4003215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C F O3 Rb Zn |
|---|---|
| Calculated formula | C F O2.997 Rb Zn |
| Title of publication | Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series |
| Authors of publication | Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 7520 |
| a | 5.1035 ± 0.0009 Å |
| b | 5.1035 ± 0.0009 Å |
| c | 8.619 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 194.41 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 188 |
| Hermann-Mauguin space group symbol | P -6 c 2 |
| Hall space group symbol | P -6c 2 |
| Residual factor for all reflections | 0.0228 |
| Residual factor for significantly intense reflections | 0.0172 |
| Weighted residual factors for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.0332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231436 (current) | 2019-11-22 | cif/ Adding structures of 4003215 via cif-deposit CGI script. |
4003215.cif |
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Users of the data should acknowledge the original authors of the
structural data.