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Information card for entry 1563561
Preview
| Coordinates | 1563561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca8 Cl4 Fe2.58 Mn3.42 O16 |
|---|---|
| Calculated formula | Ca8 Cl4 Fe2.58 Mn3.42 O16 |
| Title of publication | Ca4Fe3−xMnxO8−δCl2: A new n=3 Ruddlesden‒Popper oxychloride |
| Authors of publication | Yang, Tao; Sun, Junliang; Croft, Mark; Nowik, Israel; Ignatov, Alexander; Cong, Rihong; Greenblatt, Martha |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2010 |
| Journal volume | 183 |
| Journal issue | 6 |
| Pages of publication | 1215 - 1220 |
| a | 3.796 ± 0.0005 Å |
| b | 3.796 ± 0.0005 Å |
| c | 30.846 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 444.48 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266557 (current) | 2021-06-18 | cif/ Adding structures of 1563561 via cif-deposit CGI script. |
1563561.cif |
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Users of the data should acknowledge the original authors of the
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