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Information card for entry 3500048
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| Coordinates | 3500048.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 | 10.30844 ± 0.00007 Å |
| b | 6.02909 ± 0.00003 Å |
| c | 23.80175 ± 0.00014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1479.29 ± 0.015 Å3 |
| Cell temperature | 768 K |
| Ambient diffraction temperature | 768 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor R(I) for significantly intense reflections | 13.3758 |
| Goodness-of-fit parameter for all reflections | 1.524 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.826946 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188675 (current) | 2016-11-25 | cif/ Adding structures of 3500048 via cif-deposit CGI script. |
3500048.cif |
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Users of the data should acknowledge the original authors of the
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