MgTi is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), three equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with nine equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with five equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), two equivalent Ti(1), and six equivalent Ti(2) atoms to form MgMg4Ti8 cuboctahedra that share corners with eighteen equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(1), and three equivalent Ti(2) atoms to form distorted TiMg7Ti5 cuboctahedra that share corners with nine equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with nine equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with five equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra.
MgTi is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), three equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with nine equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with five equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.02 Å. There is one shorter (3.03 Å) and two longer (3.07 Å) Mg(1)-Mg(1) bond lengths. There are a spread of Mg(1)-Ti(1) bond distances ranging from 2.98-3.14 Å. All Mg(1)-Ti(2) bond lengths are 3.03 Å. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), two equivalent Ti(1), and six equivalent Ti(2) atoms to form MgMg4Ti8 cuboctahedra that share corners with eighteen equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra. Both Mg(2)-Ti(1) bond lengths are 3.03 Å. There are a spread of Mg(2)-Ti(2) bond distances ranging from 3.00-3.09 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. All Ti(1)-Ti(2) bond lengths are 2.94 Å. In the second Ti site, Ti(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(1), and three equivalent Ti(2) atoms to form distorted TiMg7Ti5 cuboctahedra that share corners with nine equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with nine equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with five equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra. There is one shorter (2.83 Å) and two longer (3.17 Å) Ti(2)-Ti(2) bond lengths.