Materials Data on Li2Si by Materials Project

Abstract

Li2Si 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 in a distorted trigonal non-coplanar geometry to six equivalent Si atoms. There are three shorter (2.61 Å) and three longer (2.95 Å) Li–Si bond lengths. In the second Li site, Li is bonded to four equivalent Si atoms to form a mixture of distorted corner and edge-sharing LiSi4 tetrahedra. There are one shorter (2.63 Å) and three longer (2.79 Å) Li–Si bond lengths. Si is bonded in a 11-coordinate geometry to ten Li and one Si atom. The Si–Si bond length is 2.29 Å.