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Information card for entry 2019931
Preview
| Coordinates | 2019931.cif |
|---|---|
| Structure factors | 2019931.hkl |
| Original IUCr paper | HTML |
| Chemical name | Sodium vanadium dioxide difluoride |
|---|---|
| Formula | F2 Na O2 V |
| Calculated formula | F2 Na O2 V |
| Title of publication | Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell |
| Authors of publication | Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| a | 6.4 ± 0.005 Å |
| b | 3.614 ± 0.002 Å |
| c | 14.453 ± 0.012 Å |
| α | 90° |
| β | 110.369 ± 0.01° |
| γ | 90° |
| Cell volume | 313.4 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019931.cif 2019931.hkl |
| 136356 | 2015-05-13 | cif/ hkl/ Adding structures of 2019930, 2019931, 2019932 via cif-deposit CGI script. |
2019931.cif 2019931.hkl |
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Users of the data should acknowledge the original authors of the
structural data.