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Information card for entry 3500044
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| Coordinates | 3500044.cif |
|---|
| Formula | F6 K2 Zr |
|---|---|
| Calculated formula | F5.9988 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 | 9.15641 ± 0.00003 Å |
| b | 9.15641 ± 0.00003 Å |
| c | 9.15641 ± 0.00003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 767.672 ± 0.004 Å3 |
| Cell temperature | 768 K |
| Ambient diffraction temperature | 768 K |
| Number of distinct elements | 3 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor R(I) for significantly intense reflections | 4.1396 |
| 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 |
|---|---|---|---|
| 188671 (current) | 2016-11-25 | cif/ Adding structures of 3500044 via cif-deposit CGI script. |
3500044.cif |
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Users of the data should acknowledge the original authors of the
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