Information card for entry 4330782

Structure parameters

• Common name: IrLa3Br3
• Chemical name: Trilanthanum Iridum Tribromide
• Formula: Br3 Ir La3
• Calculated formula: Br3 Ir La3
• Title of publication: Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques
• Authors of publication: Simon Steinberg; Jakoah Brgoch; Gordon J. Miller; Gerd Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11356 - 11364
• a: 12.1738 ± 0.0019 Å
• b: 12.1738 ± 0.0019 Å
• c: 12.1738 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1804.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 214
• Hermann-Mauguin space group symbol: I 41 3 2
• Hall space group symbol: I 4bd 2c 3
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No