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Information card for entry 7233642
Preview
| Coordinates | 7233642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B6 F2 O11 Pb3 |
|---|---|
| Calculated formula | B6 F2 O11 Pb3 |
| Title of publication | Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response |
| Authors of publication | Hongyi Li; Hongping Wu; Xin Su; Hongwei Yu; Shilie Pan; Zhihua Yang; Yi Lu; Jian Han; Kenneth R. Poeppelmeier |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 1704 - 1710 |
| a | 6.4274 ± 0.0013 Å |
| b | 8.3282 ± 0.0017 Å |
| c | 9.4891 ± 0.0019 Å |
| α | 90° |
| β | 101.19 ± 0.03° |
| γ | 90° |
| Cell volume | 498.28 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217971 (current) | 2019-09-04 | cif/ Adding structures of 7233642 via cif-deposit CGI script. |
7233642.cif |
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Users of the data should acknowledge the original authors of the
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