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Information card for entry 4003666
Preview
| Coordinates | 4003666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Bi2 F2 K2 O9 Se3 |
|---|---|
| Calculated formula | Bi2 F2 K2 O9 Se3 |
| Title of publication | A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps |
| Authors of publication | Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 12.8396 ± 0.0005 Å |
| b | 5.8831 ± 0.0003 Å |
| c | 7.6506 ± 0.0003 Å |
| α | 90° |
| β | 93.076 ± 0.003° |
| γ | 90° |
| Cell volume | 577.07 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255835 (current) | 2020-09-04 | cif/ Adding structures of 4003666 via cif-deposit CGI script. |
4003666.cif |
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