Information card for entry 4132332

Structure parameters

• 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 ų
• 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