MgTi2 is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to five equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with two equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with seven equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with seven equivalent Ti(1)Mg3Ti9 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), four equivalent Ti(1), and five equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with five equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Mg(1), three equivalent Ti(2), and five equivalent Ti(1) atoms to form TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with eight equivalent Ti(1)Mg3Ti9 cuboctahedra.
MgTi2 is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to five equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with two equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with seven equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with seven equivalent Ti(1)Mg3Ti9 cuboctahedra. There are a spread of Mg(1)-Mg(1) bond distances ranging from 2.85-2.99 Å. There are two shorter (3.12 Å) and one longer (3.16 Å) Mg(1)-Ti(1) bond length. There are two shorter (3.16 Å) and two longer (3.17 Å) Mg(1)-Ti(2) bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), four equivalent Ti(1), and five equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with five equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg4Ti8 cuboctahedra. There are two shorter (2.90 Å) and two longer (2.93 Å) Ti(1)-Ti(1) bond lengths. There are a spread of Ti(1)-Ti(2) bond distances ranging from 2.77-2.96 Å. In the second Ti site, Ti(2) is bonded to four equivalent Mg(1), three equivalent Ti(2), and five equivalent Ti(1) atoms to form TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with eight equivalent Ti(1)Mg3Ti9 cuboctahedra. There is one shorter (2.76 Å) and two longer (2.90 Å) Ti(2)-Ti(2) bond lengths.