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Information card for entry 4030606
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| Coordinates | 4030606.cif |
|---|
| Formula | Ba2 Ca Ir O6 |
|---|---|
| Calculated formula | Ba2 Ca Ir O6 |
| SMILES | [Ba+2].[O-][Ir]([O-])([O-])([O-])([O-])[O-].[Ca+2].[Ba+2] |
| Title of publication | Stabilization of six-coordinated iridium(VI) in a perovskite oxygen lattice Ba2MIrO6 (M = Ca, Sr) |
| Authors of publication | Jung, D.-K.; Gravereau, P.; Demazeau, G. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1993 |
| Journal volume | 30 |
| Pages of publication | 1025 - 1037 |
| a | 8.3639 ± 0.0006 Å |
| b | 8.3639 ± 0.0006 Å |
| c | 8.3639 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 585.1 ± 0.07 Å3 |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor R(I) for significantly intense reflections | 0.022 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178485 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/06. |
4030606.cif |
| 130893 | 2015-02-04 | cif/ Adding structures of 4030606 via cif-deposit CGI script. |
4030606.cif |
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Users of the data should acknowledge the original authors of the
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