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DOE OSTI · 1744003

Materials Data on Li2CuIrF6 by Materials Project

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Abstract

(Li)2IrCuF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one IrCuF6 framework. In the IrCuF6 framework, Ir3+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–F bond lengths are 2.05 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent IrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.07 Å. F1- is bonded in a linear geometry to one Ir3+ and one Cu1+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-F-Ir-LiLi2CuIrF6

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2020-05-03. Materials Data on Li2CuIrF6 by Materials Project. https://doi.org/10.17188/1744003

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