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Information card for entry 1562112
Preview
| Coordinates | 1562112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba2 O Te |
|---|---|
| Calculated formula | Ba2 O Te |
| SMILES | [O-2].[Ba+2].[Te-2].[Ba+2] |
| Title of publication | Ba2TeO: A new layered oxytelluride |
| Authors of publication | Besara, T.; Ramirez, D.; Sun, J.; Whalen, J.B.; Tokumoto, T.D.; McGill, S.A.; Singh, D.J.; Siegrist, T. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2015 |
| Journal volume | 222 |
| Pages of publication | 60 - 65 |
| a | 5.03371 ± 0.00011 Å |
| b | 5.03371 ± 0.00011 Å |
| c | 9.9437 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 251.956 ± 0.013 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor for all reflections | 0.0751 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2831 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264544 (current) | 2021-04-26 | cif/ Adding structures of 1562112 via cif-deposit CGI script. |
1562112.cif |
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Users of the data should acknowledge the original authors of the
structural data.