Materials Data on LiTl3 by Materials Project

Abstract

LiTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Tl atoms to form LiTl12 cuboctahedra that share corners with twelve equivalent LiTl12 cuboctahedra, edges with twenty-four equivalent TlLi4Tl8 cuboctahedra, faces with six equivalent LiTl12 cuboctahedra, and faces with twelve equivalent TlLi4Tl8 cuboctahedra. All Li–Tl bond lengths are 3.38 Å. Tl is bonded to four equivalent Li and eight equivalent Tl atoms to form distorted TlLi4Tl8 cuboctahedra that share corners with twelve equivalent TlLi4Tl8 cuboctahedra, edges with eight equivalent LiTl12 cuboctahedra, edges with sixteen equivalent TlLi4Tl8 cuboctahedra, faces with four equivalent LiTl12 cuboctahedra, and faces with fourteen equivalent TlLi4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.38 Å.