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Information card for entry 3500043
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| Coordinates | 3500043.cif |
|---|
| Formula | F6 K2 Zr |
|---|---|
| Calculated formula | F6 K2 Zr |
| Title of publication | Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT |
| Authors of publication | Lubomir Smrcok; Armel Le Bail; Miroslav Boca |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 6.56646 ± 0.00002 Å |
| b | 11.4444 ± 0.00004 Å |
| c | 6.94202 ± 0.00002 Å |
| α | 90° |
| β | 90.5668 ± 0.0003° |
| γ | 90° |
| Cell volume | 521.662 ± 0.003 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor R(I) for significantly intense reflections | 1.9943 |
| Goodness-of-fit parameter for all reflections | 1.532 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.825631 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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