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Information card for entry 2241059
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| Coordinates | 2241059.cif |
|---|---|
| Structure factors | 2241059.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Calcium iridium(IV) trioxide |
|---|---|
| Formula | Ca Ir O3 |
| Calculated formula | Ca Ir O3 |
| Title of publication | Crystal structure of post-perovskite-type CaIrO~3~ reinvestigated: new insights into atomic thermal vibration behaviors |
| Authors of publication | Nakatsuka, Akihiko; Sugiyama, Kazumasa; Yoneda, Akira; Fujiwara, Keiko; Yoshiasa, Akira |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1109 - 1113 |
| a | 3.1466 ± 0.0005 Å |
| b | 9.869 ± 0.0016 Å |
| c | 7.3019 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 226.75 ± 0.05 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for all reflections included in the refinement | 0.021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.555 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241059.cif 2241059.hkl |
| 153796 | 2015-08-30 | cif/ hkl/ Adding structures of 2241059 via cif-deposit CGI script. |
2241059.cif 2241059.hkl |
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Users of the data should acknowledge the original authors of the
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