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Information card for entry 1543899
Preview
| Coordinates | 1543899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cr2 Cu O4 |
|---|---|
| Calculated formula | Cr2 Cu O4 |
| Title of publication | Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ |
| Authors of publication | Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele |
| Journal of publication | IUCrJ |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 5 |
| a | 6.0287 ± 0.0001 Å |
| b | 6.0287 ± 0.0001 Å |
| c | 7.7803 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 282.777 ± 0.01 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 141 |
| Hermann-Mauguin space group symbol | I 41/a m d :2 |
| Hall space group symbol | -I 4bd 2 |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185841 (current) | 2016-08-17 | cif/ Adding structures of 1543899, 1543900 via cif-deposit CGI script. |
1543899.cif |
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Users of the data should acknowledge the original authors of the
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