MgY is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Y(2), two equivalent Y(1), and three equivalent Y(3) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(2), two equivalent Y(3), and three equivalent Y(1) atoms. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), two equivalent Y(3), and three equivalent Y(2) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. In the third Y site, Y(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form a mixture of distorted face and corner-sharing YY5Mg7 cuboctahedra.
MgY is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Y(2), two equivalent Y(1), and three equivalent Y(3) atoms. Both Mg(1)-Mg(1) bond lengths are 3.49 Å. Both Mg(1)-Mg(2) bond lengths are 3.21 Å. Both Mg(1)-Mg(3) bond lengths are 3.20 Å. The Mg(1)-Y(2) bond length is 3.62 Å. Both Mg(1)-Y(1) bond lengths are 3.55 Å. There are two shorter (3.29 Å) and one longer (3.44 Å) Mg(1)-Y(3) bond length. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(2), two equivalent Y(3), and three equivalent Y(1) atoms. Both Mg(2)-Y(2) bond lengths are 3.27 Å. Both Mg(2)-Y(3) bond lengths are 3.32 Å. All Mg(2)-Y(1) bond lengths are 3.43 Å. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), two equivalent Y(3), and three equivalent Y(2) atoms. Both Mg(3)-Y(1) bond lengths are 3.33 Å. Both Mg(3)-Y(3) bond lengths are 3.34 Å. There are two shorter (3.39 Å) and one longer (3.50 Å) Mg(3)-Y(2) bond length. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms. The Y(1)-Y(3) bond length is 3.53 Å. Both Y(1)-Y(1) bond lengths are 3.49 Å. Both Y(1)-Y(2) bond lengths are 3.63 Å. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. Both Y(2)-Y(2) bond lengths are 3.49 Å. Both Y(2)-Y(3) bond lengths are 3.51 Å. In the third Y site, Y(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form a mixture of distorted face and corner-sharing YY5Mg7 cuboctahedra. Both Y(3)-Y(3) bond lengths are 3.49 Å.