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Information card for entry 4132332
Preview
| Coordinates | 4132332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ir Si |
|---|---|
| Calculated formula | Ir Si |
| Title of publication | Frustrated and Allowed Structural Transitions: The Theory-Guided Discovery of the Modulated Structure of IrSi. |
| Authors of publication | Mitchell Warden, Hillary E.; Fredrickson, Daniel C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 5.5573 ± 0.0016 Å |
| b | 3.221 ± 0.0011 Å |
| c | 6.278 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 112.38 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 21/n 1 1 |
| Hall space group symbol | -P 2xn |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for significantly intense reflections | 1.23 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242316 (current) | 2019-11-26 | cif/ Adding structures of 4132332 via cif-deposit CGI script. |
4132332.cif |
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Users of the data should acknowledge the original authors of the
structural data.