Information card for entry 4134530

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: 9.9447 ± 0.0012 Å
• b: 9.9447 ± 0.0012 Å
• c: 10.1091 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 999.8 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.45 K
• Number of distinct elements: 3
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No