Ti3Nb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to eight equivalent Ti(1) and four equivalent Nb(1) atoms to form TiTi8Nb4 cuboctahedra that share corners with four equivalent Nb(1)Ti12 cuboctahedra, corners with fourteen equivalent Ti(1)Ti8Nb4 cuboctahedra, edges with six equivalent Nb(1)Ti12 cuboctahedra, edges with twelve equivalent Ti(1)Ti8Nb4 cuboctahedra, faces with four equivalent Nb(1)Ti12 cuboctahedra, and faces with sixteen equivalent Ti(1)Ti8Nb4 cuboctahedra. Nb(1) is bonded to twelve equivalent Ti(1) atoms to form NbTi12 cuboctahedra that share corners with six equivalent Nb(1)Ti12 cuboctahedra, corners with twelve equivalent Ti(1)Ti8Nb4 cuboctahedra, edges with eighteen equivalent Ti(1)Ti8Nb4 cuboctahedra, faces with eight equivalent Nb(1)Ti12 cuboctahedra, and faces with twelve equivalent Ti(1)Ti8Nb4 cuboctahedra.
Ti3Nb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to eight equivalent Ti(1) and four equivalent Nb(1) atoms to form TiTi8Nb4 cuboctahedra that share corners with four equivalent Nb(1)Ti12 cuboctahedra, corners with fourteen equivalent Ti(1)Ti8Nb4 cuboctahedra, edges with six equivalent Nb(1)Ti12 cuboctahedra, edges with twelve equivalent Ti(1)Ti8Nb4 cuboctahedra, faces with four equivalent Nb(1)Ti12 cuboctahedra, and faces with sixteen equivalent Ti(1)Ti8Nb4 cuboctahedra. There are two shorter (2.90 Å) and six longer (2.93 Å) Ti(1)-Ti(1) bond lengths. There are two shorter (2.92 Å) and two longer (2.94 Å) Ti(1)-Nb(1) bond lengths. Nb(1) is bonded to twelve equivalent Ti(1) atoms to form NbTi12 cuboctahedra that share corners with six equivalent Nb(1)Ti12 cuboctahedra, corners with twelve equivalent Ti(1)Ti8Nb4 cuboctahedra, edges with eighteen equivalent Ti(1)Ti8Nb4 cuboctahedra, faces with eight equivalent Nb(1)Ti12 cuboctahedra, and faces with twelve equivalent Ti(1)Ti8Nb4 cuboctahedra.