Information card for entry 4134532

Structure parameters

• Formula: In8 Ir2 Se
• Calculated formula: In8 Ir2 Se
• Title of publication: The Subchalcogenides Ir₂In₈Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.
• Authors of publication: Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 6312 - 6323
• a: 9.92 ± 0.0006 Å
• b: 9.9262 ± 0.0006 Å
• c: 10.1092 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 89.9995°
• Cell volume: 995.43 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 6
• Hermann-Mauguin space group symbol: P 1 1 m
• Hall space group symbol: P -2
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for significantly intense reflections: 3.32
• Goodness-of-fit parameter for all reflections included in the refinement: 2.45
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No