Information card for entry 7716890

Structure parameters

• Formula: B2.46 Ir2
• Calculated formula: B2.46 Ir2
• Title of publication: Crystal structure, bonding and electronic structure of α- and β-Ir2B3-x compounds
• Authors of publication: Sologub, Oksana; Salamakha, Leonid; Stöger, Berthold; Mori, Takao; Barisic, Neven; Rogl, Peter Franz; Michor, Herwig; Bauer, Ernst
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.5515 ± 0.0011 Å
• b: 2.8842 ± 0.0003 Å
• c: 6.0965 ± 0.0007 Å
• α: 90°
• β: 91.121 ± 0.009°
• γ: 90°
• Cell volume: 185.5 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No