Materials Data on TaTi3 by Materials Project

Abstract

Ti3Ta is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ta atoms to form TiTa4Ti8 cuboctahedra that share corners with twelve equivalent TiTa4Ti8 cuboctahedra, edges with eight equivalent TaTi12 cuboctahedra, edges with sixteen equivalent TiTa4Ti8 cuboctahedra, faces with four equivalent TaTi12 cuboctahedra, and faces with fourteen equivalent TiTa4Ti8 cuboctahedra. All Ti–Ti bond lengths are 2.92 Å. All Ti–Ta bond lengths are 2.92 Å. Ta is bonded to twelve equivalent Ti atoms to form TaTi12 cuboctahedra that share corners with twelve equivalent TaTi12 cuboctahedra, edges with twenty-four equivalent TiTa4Ti8 cuboctahedra, faces with six equivalent TaTi12 cuboctahedra, and faces with twelve equivalent TiTa4Ti8 cuboctahedra.