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Information card for entry 7043112
Preview
| Coordinates | 7043112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Nb0.4 O3 Sr0.8 Zr0.6 |
|---|---|
| Calculated formula | Nb0.4 O3 Sr0.8 Zr0.6 |
| Title of publication | Tailoring phase transition temperatures in perovskites via A-site vacancy generation |
| Authors of publication | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 5.725077 ± 0.000005 Å |
| b | 5.725077 ± 0.000005 Å |
| c | 8.132035 ± 0.000008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 266.54 ± 0.0004 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 140 |
| Hermann-Mauguin space group symbol | I 4/m c m |
| Hall space group symbol | -I 4 2c |
| Residual factor for all reflections | 0.0258 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for all reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0432 |
| Goodness-of-fit parameter for all reflections | 3.94 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.82647 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196968 (current) | 2017-05-25 | cif/ Adding structures of 7043112 via cif-deposit CGI script. |
7043112.cif |
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