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Information card for entry 7233480
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| Coordinates | 7233480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B Ba Cl F4 |
|---|---|
| Calculated formula | B Ba Cl F4 |
| Title of publication | BaClBF4: a new noncentrosymmetric pseudo-Aurivillius type material with transparency range from deep UV to middle IR and a high laser damage threshold |
| Authors of publication | Min Zhang; Shilie Pan; Zhihua Yang; Ying Wang; Xin Su; Yun Yang; Zhenjun Huang; Shujuan Han; Kenneth R. Poeppelmeier |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 4740 - 4745 |
| a | 5.228 ± 0.003 Å |
| b | 9.351 ± 0.005 Å |
| c | 4.734 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 231.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0184 |
| Residual factor for significantly intense reflections | 0.0178 |
| Weighted residual factors for significantly intense reflections | 0.0423 |
| Weighted residual factors for all reflections included in the refinement | 0.0436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217740 (current) | 2019-08-27 | cif/ Adding structures of 7233480 via cif-deposit CGI script. |
7233480.cif |
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Users of the data should acknowledge the original authors of the
structural data.