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Information card for entry 7233715
Preview
| Coordinates | 7233715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B3 Ba7 Br O13 Si |
|---|---|
| Calculated formula | B3 Ba7 Br O13 Si |
| Title of publication | Ba4(BO3)3(SiO4).Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials |
| Authors of publication | Xiaoxia Lin; Fangfang Zhang; Shilie Pan; Hongwei Yu; Fangyuan Zhang; Xiaoyu Dong; Shujuan Han; Lingyun Dong; Chunyan Bai; Zheng Wang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 4257 - 4264 |
| a | 11.279 ± 0.003 Å |
| b | 11.279 ± 0.003 Å |
| c | 7.324 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 806.9 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218095 (current) | 2019-09-09 | cif/ Adding structures of 7233715 via cif-deposit CGI script. |
7233715.cif |
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Users of the data should acknowledge the original authors of the
structural data.