MgTi is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(2), two equivalent Ti(3), and three equivalent Ti(1) atoms. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(3), two equivalent Ti(2), and two equivalent Ti(3) atoms to form a mixture of distorted edge and face-sharing MgMg8Ti4 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(3), and three equivalent Ti(2) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to two equivalent Mg(3), three equivalent Mg(1), one Ti(3), two equivalent Ti(1), and four equivalent Ti(2) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(1), three equivalent Mg(3), two equivalent Ti(2), and four equivalent Ti(1) atoms. In the third Ti site, Ti(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms.
MgTi is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(2), two equivalent Ti(3), and three equivalent Ti(1) atoms. Both Mg(1)-Mg(2) bond lengths are 3.00 Å. Both Mg(1)-Mg(3) bond lengths are 3.09 Å. Both Mg(1)-Ti(2) bond lengths are 2.99 Å. There is one shorter (3.02 Å) and one longer (3.06 Å) Mg(1)-Ti(3) bond length. There are a spread of Mg(1)-Ti(1) bond distances ranging from 2.98-3.10 Å. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(3), two equivalent Ti(2), and two equivalent Ti(3) atoms to form a mixture of distorted edge and face-sharing MgMg8Ti4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.05 Å) Mg(2)-Mg(3) bond lengths. Both Mg(2)-Ti(2) bond lengths are 3.41 Å. Both Mg(2)-Ti(3) bond lengths are 3.09 Å. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(3), and three equivalent Ti(2) atoms. Both Mg(3)-Ti(1) bond lengths are 2.95 Å. Both Mg(3)-Ti(3) bond lengths are 2.98 Å. There are a spread of Mg(3)-Ti(2) bond distances ranging from 2.92-3.12 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to two equivalent Mg(3), three equivalent Mg(1), one Ti(3), two equivalent Ti(1), and four equivalent Ti(2) atoms. The Ti(1)-Ti(3) bond length is 3.36 Å. Both Ti(1)-Ti(1) bond lengths are 2.90 Å. There are two shorter (2.85 Å) and two longer (3.01 Å) Ti(1)-Ti(2) bond lengths. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(1), three equivalent Mg(3), two equivalent Ti(2), and four equivalent Ti(1) atoms. Both Ti(2)-Ti(2) bond lengths are 2.85 Å. In the third Ti site, Ti(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms.