Materials Data on Li3Cr by Materials Project

Abstract

Li3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Cr atoms to form distorted LiLi8Cr4 cuboctahedra that share corners with twelve equivalent LiLi8Cr4 cuboctahedra, edges with eight equivalent CrLi12 cuboctahedra, edges with sixteen equivalent LiLi8Cr4 cuboctahedra, faces with four equivalent CrLi12 cuboctahedra, and faces with fourteen equivalent LiLi8Cr4 cuboctahedra. All Li–Li bond lengths are 2.95 Å. All Li–Cr bond lengths are 2.95 Å. Cr is bonded to twelve equivalent Li atoms to form CrLi12 cuboctahedra that share corners with twelve equivalent CrLi12 cuboctahedra, edges with twenty-four equivalent LiLi8Cr4 cuboctahedra, faces with six equivalent CrLi12 cuboctahedra, and faces with twelve equivalent LiLi8Cr4 cuboctahedra.