MgNd4Ir crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms to form a mixture of face and corner-sharing MgNd9Mg3 cuboctahedra. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Ir(1) atoms. In the second Nd site, Nd(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms.
MgNd4Ir crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms to form a mixture of face and corner-sharing MgNd9Mg3 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 3.15 Å. All Mg(1)-Nd(1) bond lengths are 3.63 Å. All Mg(1)-Nd(2) bond lengths are 3.65 Å. All Mg(1)-Nd(3) bond lengths are 3.44 Å. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Ir(1) atoms. All Nd(1)-Ir(1) bond lengths are 2.91 Å. In the second Nd site, Nd(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. Both Nd(2)-Ir(1) bond lengths are 2.91 Å. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. Both Nd(3)-Ir(1) bond lengths are 3.60 Å. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms.