MgTi is TlF-II structured and crystallizes in the orthorhombic Pbcm space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Ti(1) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with twelve equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with ten equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, and faces with ten equivalent Ti(1)Mg6Ti6 cuboctahedra. Ti(1) is bonded to six equivalent Mg(1) and six equivalent Ti(1) atoms to form distorted TiMg6Ti6 cuboctahedra that share corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, and faces with ten equivalent Ti(1)Mg6Ti6 cuboctahedra.
MgTi is TlF-II structured and crystallizes in the orthorhombic Pbcm space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Ti(1) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with twelve equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with ten equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, and faces with ten equivalent Ti(1)Mg6Ti6 cuboctahedra. There are four shorter (3.03 Å) and two longer (3.08 Å) Mg(1)-Mg(1) bond lengths. There are a spread of Mg(1)-Ti(1) bond distances ranging from 3.00-3.47 Å. Ti(1) is bonded to six equivalent Mg(1) and six equivalent Ti(1) atoms to form distorted TiMg6Ti6 cuboctahedra that share corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, and faces with ten equivalent Ti(1)Mg6Ti6 cuboctahedra. There are four shorter (2.83 Å) and two longer (2.94 Å) Ti(1)-Ti(1) bond lengths.