Nd4NiMg 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 corner and face-sharing MgNd9Mg3 cuboctahedra. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Nd(3), four equivalent Nd(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the third Nd site, Nd(3) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Nd(2), and three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms.
Nd4NiMg 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 corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 3.12 Å. All Mg(1)-Nd(1) bond lengths are 3.60 Å. All Mg(1)-Nd(2) bond lengths are 3.40 Å. All Mg(1)-Nd(3) bond lengths are 3.60 Å. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. All Nd(1)-Nd(2) bond lengths are 3.71 Å. Both Nd(1)-Ni(1) bond lengths are 2.89 Å. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Nd(3), four equivalent Nd(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. Both Nd(2)-Nd(3) bond lengths are 3.59 Å. All Nd(2)-Nd(2) bond lengths are 3.70 Å. Both Nd(2)-Ni(1) bond lengths are 3.59 Å. In the third Nd site, Nd(3) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Nd(2), and three equivalent Ni(1) atoms. All Nd(3)-Ni(1) bond lengths are 2.86 Å. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms.