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Information card for entry 1554079
Preview
| Coordinates | 1554079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B8 Ba10 F K5 O24 |
|---|---|
| Calculated formula | B8 Ba10.02 F K4.98 O24 |
| Title of publication | K5Ba10(BO3)8F: A New Potassium Barium Borate Fluoride with a Perovskite-Like Structure |
| Authors of publication | Liu, Lili; Yang, Yun; Jing, Qun; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie; Wu, Kui |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2016 |
| Journal volume | 120 |
| Journal issue | 33 |
| Pages of publication | 18763 |
| a | 15.2929 ± 0.0017 Å |
| b | 15.2929 ± 0.0017 Å |
| c | 22.699 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4597.5 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236544 (current) | 2019-11-24 | cif/ Adding structures of 1554079 via cif-deposit CGI script. |
1554079.cif |
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Users of the data should acknowledge the original authors of the
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