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Information card for entry 2002999
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| Coordinates | 2002999.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | titanium(IV) oxide phosphate |
|---|---|
| Chemical name | Pentatitanium(IV)-tetroxide-tetrakis(phosphate) |
| Formula | O20 P4 Ti5 |
| Calculated formula | O20 P4 Ti4.999 |
| Title of publication | Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations |
| Authors of publication | Glaum, Robert; Reinauer, Felix |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 722 - 731 |
| a | 12.8417 ± 0.0012 Å |
| b | 14.4195 ± 0.0013 Å |
| c | 7.4622 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1381.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for all reflections | 0.143 |
| Weighted residual factors for significantly intense reflections | 0.1364 |
| Goodness-of-fit parameter for all reflections | 1.112 |
| Goodness-of-fit parameter for significantly intense reflections | 1.213 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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