Materials Data on Ti3Nb by Materials Project

Abstract

Ti3Nb 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 Nb atoms to form TiTi8Nb4 cuboctahedra that share corners with twelve equivalent TiTi8Nb4 cuboctahedra, edges with eight equivalent NbTi12 cuboctahedra, edges with sixteen equivalent TiTi8Nb4 cuboctahedra, faces with four equivalent NbTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Nb4 cuboctahedra. All Ti–Ti bond lengths are 2.92 Å. All Ti–Nb bond lengths are 2.92 Å. Nb is bonded to twelve equivalent Ti atoms to form NbTi12 cuboctahedra that share corners with twelve equivalent NbTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Nb4 cuboctahedra, faces with six equivalent NbTi12 cuboctahedra, and faces with twelve equivalent TiTi8Nb4 cuboctahedra.