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Information card for entry 1551194
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| Coordinates | 1551194.cif |
|---|---|
| Structure factors | 1551194.hkl |
| Original IUCr paper | HTML |
| Chemical name | Barium oxidotellurate(IV) monohydrate |
|---|---|
| Formula | Ba H2 O4 Te |
| Calculated formula | Ba H2 O4 Te |
| Title of publication | Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms |
| Authors of publication | Weil, Matthias |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 5 |
| a | 8.6061 ± 0.0002 Å |
| b | 7.582 ± 0.0001 Å |
| c | 7.7252 ± 0.0002 Å |
| α | 90° |
| β | 105.88 ± 0.0011° |
| γ | 90° |
| Cell volume | 484.843 ± 0.018 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.0415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215655 (current) | 2019-06-01 | cif/ hkl/ Adding structures of 1551194 via cif-deposit CGI script. |
1551194.cif 1551194.hkl |
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Users of the data should acknowledge the original authors of the
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