Materials Data on Ti3Nb by Materials Project

Abstract

Ti3Nb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc 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 four equivalent NbTi12 cuboctahedra, corners with fourteen equivalent TiTi8Nb4 cuboctahedra, edges with six equivalent NbTi12 cuboctahedra, edges with twelve equivalent TiTi8Nb4 cuboctahedra, faces with four equivalent NbTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Nb4 cuboctahedra. There are two shorter (2.90 Å) and six longer (2.93 Å) Ti–Ti bond lengths. There are two shorter (2.92 Å) and two longer (2.94 Å) Ti–Nb bond lengths. Nb is bonded to twelve equivalent Ti atoms to form NbTi12 cuboctahedra that share corners with six equivalent NbTi12 cuboctahedra, corners with twelve equivalent TiTi8Nb4 cuboctahedra, edges with eighteen equivalent TiTi8Nb4 cuboctahedra, faces with eight equivalent NbTi12 cuboctahedra, and faces with twelve equivalent TiTi8Nb4 cuboctahedra.