Materials Data on TiTl3 by Materials Project

Abstract

TiTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Tl atoms to form TiTl12 cuboctahedra that share corners with twelve equivalent TiTl12 cuboctahedra, edges with twenty-four equivalent TlTi4Tl8 cuboctahedra, faces with six equivalent TiTl12 cuboctahedra, and faces with twelve equivalent TlTi4Tl8 cuboctahedra. All Ti–Tl bond lengths are 3.25 Å. Tl is bonded to four equivalent Ti and eight equivalent Tl atoms to form TlTi4Tl8 cuboctahedra that share corners with twelve equivalent TlTi4Tl8 cuboctahedra, edges with eight equivalent TiTl12 cuboctahedra, edges with sixteen equivalent TlTi4Tl8 cuboctahedra, faces with four equivalent TiTl12 cuboctahedra, and faces with fourteen equivalent TlTi4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.25 Å.