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Information card for entry 2020712
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| Coordinates | 2020712.cif |
|---|---|
| Structure factors | 2020712.hkl |
| Original paper (by DOI) | HTML |
| Common name | pentafluorooxotitanium |
|---|---|
| Chemical name | pentafluorooxotitanium |
| Formula | F5 H12 N3 O2 Ti |
| Calculated formula | F4.9992 H11.9976 N3 O1.9992 Ti |
| Title of publication | Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~ |
| Authors of publication | Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 1 - 9 |
| a | 9.2327 ± 0.0001 Å |
| b | 9.2327 ± 0.0001 Å |
| c | 9.2327 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 787.021 ± 0.015 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.014 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.04 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191417 (current) | 2017-02-04 | cif/ Updating files of 2020711, 2020712 Original log message: Adding full bibliography for 2020711--2020712.cif. |
2020712.cif 2020712.hkl |
| 190861 | 2017-01-24 | cif/ hkl/ Adding structures of 2020711, 2020712 via cif-deposit CGI script. |
2020712.cif 2020712.hkl |
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Users of the data should acknowledge the original authors of the
structural data.