Materials Data on Li3In2 by Materials Project

Abstract

Li3In2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Li and four equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing LiLi3In4 tetrahedra. All Li–Li bond lengths are 2.93 Å. There are three shorter (2.86 Å) and one longer (2.87 Å) Li–In bond lengths. In the second Li site, Li is bonded in a distorted linear geometry to six equivalent Li and eight equivalent In atoms. There are two shorter (3.08 Å) and six longer (3.30 Å) Li–In bond lengths. In is bonded in a 5-coordinate geometry to eight Li atoms.