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Information card for entry 4134320
Preview
| Coordinates | 4134320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba0.5 F2 H O Te0.5 |
|---|---|
| Calculated formula | Ba0.5 F2 H O Te0.5 |
| Title of publication | BaF<sub>2</sub>TeF<sub>2</sub>(OH)<sub>2</sub>: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering. |
| Authors of publication | Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 7.5013 ± 0.0004 Å |
| b | 8.6517 ± 0.0004 Å |
| c | 4.2142 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 273.5 ± 0.02 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0201 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.0521 |
| Weighted residual factors for all reflections included in the refinement | 0.0522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248665 (current) | 2020-03-04 | cif/ Adding structures of 4134320 via cif-deposit CGI script. |
4134320.cif |
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