MgTi2 is Magnesium-derived structured and crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to four equivalent Mg(1), two equivalent Ti(2), and six equivalent Ti(1) atoms to form MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with seven equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with eleven equivalent Ti(2)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(2)Mg2Ti10 cuboctahedra, faces with six equivalent Ti(1)Mg6Ti6 cuboctahedra, and faces with ten equivalent Mg(1)Mg4Ti8 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Mg(1), two equivalent Ti(1), and four equivalent Ti(2) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(2)Mg2Ti10 cuboctahedra, edges with seven equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with six equivalent Ti(1)Mg6Ti6 cuboctahedra, and faces with eight equivalent Ti(2)Mg2Ti10 cuboctahedra. In the second Ti site, Ti(2) is bonded to two equivalent Mg(1), four equivalent Ti(1), and six equivalent Ti(2) atoms to form TiMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg2Ti10 cuboctahedra, edges with eleven equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with four equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with eight equivalent Ti(2)Mg2Ti10 cuboctahedra, and faces with eight equivalent Ti(1)Mg6Ti6 cuboctahedra.
MgTi2 is Magnesium-derived structured and crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to four equivalent Mg(1), two equivalent Ti(2), and six equivalent Ti(1) atoms to form MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with seven equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with eleven equivalent Ti(2)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(2)Mg2Ti10 cuboctahedra, faces with six equivalent Ti(1)Mg6Ti6 cuboctahedra, and faces with ten equivalent Mg(1)Mg4Ti8 cuboctahedra. There are two shorter (2.91 Å) and two longer (2.96 Å) Mg(1)-Mg(1) bond lengths. Both Mg(1)-Ti(2) bond lengths are 3.10 Å. There are four shorter (3.07 Å) and two longer (3.21 Å) Mg(1)-Ti(1) bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Mg(1), two equivalent Ti(1), and four equivalent Ti(2) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(2)Mg2Ti10 cuboctahedra, edges with seven equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with six equivalent Ti(1)Mg6Ti6 cuboctahedra, and faces with eight equivalent Ti(2)Mg2Ti10 cuboctahedra. Both Ti(1)-Ti(1) bond lengths are 2.91 Å. There are two shorter (2.77 Å) and two longer (2.89 Å) Ti(1)-Ti(2) bond lengths. In the second Ti site, Ti(2) is bonded to two equivalent Mg(1), four equivalent Ti(1), and six equivalent Ti(2) atoms to form TiMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg2Ti10 cuboctahedra, edges with eleven equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with four equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with eight equivalent Ti(2)Mg2Ti10 cuboctahedra, and faces with eight equivalent Ti(1)Mg6Ti6 cuboctahedra. There are two shorter (2.91 Å) and four longer (2.94 Å) Ti(2)-Ti(2) bond lengths.