Materials Data on Li3In by Materials Project

Abstract

Li3In is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent In atoms to form a mixture of distorted face, edge, and corner-sharing LiLi4In4 tetrahedra. All Li–Li bond lengths are 2.88 Å. All Li–In bond lengths are 2.88 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent In atoms. All Li–In bond lengths are 3.33 Å. In is bonded in a body-centered cubic geometry to fourteen Li atoms.