Materials Data on Li(CuO2)2 by Materials Project

Abstract

Li(CuO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li is bonded to four equivalent O atoms to form LiO4 tetrahedra that share corners with twelve equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Li–O bond lengths are 1.99 Å. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CuO6 octahedra. All Cu–O bond lengths are 1.97 Å. O is bonded to one Li and three equivalent Cu atoms to form a mixture of distorted edge and corner-sharing OLiCu3 trigonal pyramids.