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Information card for entry 1563562
Preview
| Coordinates | 1563562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B2 Fe2 K2 O7 |
|---|---|
| Calculated formula | B2 Fe2 K2 O7 |
| Title of publication | K2Fe2B2O7: A transparent nonlinear optical crystal with frustrated magnetism |
| Authors of publication | Wang, Yonggang; Li, R.K. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2010 |
| Journal volume | 183 |
| Journal issue | 6 |
| Pages of publication | 1221 - 1225 |
| a | 8.7475 ± 0.0012 Å |
| b | 8.7475 ± 0.0012 Å |
| c | 8.5124 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 564.09 ± 0.16 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 150 |
| Hermann-Mauguin space group symbol | P 3 2 1 |
| Hall space group symbol | P 3 2" |
| Residual factor for all reflections | 0.0282 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections included in the refinement | 0.054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266558 (current) | 2021-06-18 | cif/ Adding structures of 1563562 via cif-deposit CGI script. |
1563562.cif |
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Users of the data should acknowledge the original authors of the
structural data.