MgY4Pd crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Y(1), three equivalent Y(2), and three equivalent Y(3) atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Y(3), and three equivalent Pd(1) atoms. In the second Y site, Y(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Y(3), and two equivalent Pd(1) atoms. In the third Y site, Y(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), four equivalent Y(2), four equivalent Y(3), and two equivalent Pd(1) atoms. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Y(1), three equivalent Y(2), and three equivalent Y(3) atoms.
MgY4Pd crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Y(1), three equivalent Y(2), and three equivalent Y(3) atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 3.12 Å. All Mg(1)-Y(1) bond lengths are 3.47 Å. All Mg(1)-Y(2) bond lengths are 3.57 Å. All Mg(1)-Y(3) bond lengths are 3.35 Å. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Y(3), and three equivalent Pd(1) atoms. All Y(1)-Y(3) bond lengths are 3.58 Å. All Y(1)-Pd(1) bond lengths are 2.87 Å. In the second Y site, Y(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Y(3), and two equivalent Pd(1) atoms. All Y(2)-Y(3) bond lengths are 3.69 Å. Both Y(2)-Pd(1) bond lengths are 2.88 Å. In the third Y site, Y(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), four equivalent Y(2), four equivalent Y(3), and two equivalent Pd(1) atoms. All Y(3)-Y(3) bond lengths are 3.62 Å. Both Y(3)-Pd(1) bond lengths are 3.58 Å. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Y(1), three equivalent Y(2), and three equivalent Y(3) atoms.