Mg2Ti is beta-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with seven equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with seven equivalent Ti(1)Mg8Ti4 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Ti(1) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with five equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Ti(1)Mg8Ti4 cuboctahedra. Ti(1) is bonded to three equivalent Mg(1), five equivalent Mg(2), and four equivalent Ti(1) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with five equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with five equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Mg(2)Mg7Ti5 cuboctahedra.
Mg2Ti is beta-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with seven equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with seven equivalent Ti(1)Mg8Ti4 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.16 Å) Mg(1)-Mg(2) bond lengths. There are a spread of Mg(1)-Mg(1) bond distances ranging from 2.96-3.21 Å. There is one shorter (3.19 Å) and two longer (3.20 Å) Mg(1)-Ti(1) bond lengths. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Ti(1) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with five equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Ti(1)Mg8Ti4 cuboctahedra. There are two shorter (2.96 Å) and one longer (2.98 Å) Mg(2)-Mg(2) bond length. There are a spread of Mg(2)-Ti(1) bond distances ranging from 3.03-3.19 Å. Ti(1) is bonded to three equivalent Mg(1), five equivalent Mg(2), and four equivalent Ti(1) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with five equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with five equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Mg(2)Mg7Ti5 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.96 Å) Ti(1)-Ti(1) bond lengths.