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Information card for entry 2100860
Preview
| Coordinates | 2100860.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Ba O3 Ti |
|---|---|
| Calculated formula | Ba O3 Ti |
| Title of publication | Structural parameters and electron difference density in BaTiO~3~ |
| Authors of publication | Buttner, R. H.; Maslen, E. N. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 6 |
| Pages of publication | 764 - 769 |
| a | 3.9998 ± 0.0008 Å |
| b | 3.9998 ± 0.0008 Å |
| c | 4.018 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 64.28 ± 0.02 Å3 |
| Sample thermal history | heated to 1323K and cooled by approximately 15 K h -1 |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P 4/m m m |
| Hall space group symbol | -P 4 2 |
| Residual factor for all reflections | 0.013 |
| Weighted residual factors for all reflections | 0.013 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | Mo |
| Suboptimal structure of | 2100858 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.