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Information card for entry 4003468
Preview
| Coordinates | 4003468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Pd15.54 Sc54.4 |
|---|---|
| Calculated formula | Pd15.54 Sc55.4 |
| Title of publication | New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench |
| Authors of publication | Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 14.252 ± 0.003 Å |
| b | 14.372 ± 0.003 Å |
| c | 14.776 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3026.6 ± 1.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 71 |
| Hermann-Mauguin space group symbol | I m m m |
| Hall space group symbol | -I 2 2 |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247263 (current) | 2020-01-28 | cif/ Adding structures of 4003468, 4003469 via cif-deposit CGI script. |
4003468.cif |
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Users of the data should acknowledge the original authors of the
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