MgNi2 is Cubic Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ni(3), and four equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Mg(2), three equivalent Ni(1), and three equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra.
MgNi2 is Cubic Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. All Mg(1)-Ni(2) bond lengths are 2.80 Å. All Mg(1)-Ni(3) bond lengths are 2.79 Å. All Mg(1)-Ni(1) bond lengths are 2.79 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. All Mg(2)-Ni(1) bond lengths are 2.79 Å. All Mg(2)-Ni(3) bond lengths are 2.79 Å. All Mg(2)-Ni(2) bond lengths are 2.80 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ni(3), and four equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. Both Ni(1)-Ni(3) bond lengths are 2.39 Å. All Ni(1)-Ni(1) bond lengths are 2.38 Å. In the second Ni site, Ni(2) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. Both Ni(2)-Ni(3) bond lengths are 2.39 Å. There are two shorter (2.34 Å) and two longer (2.41 Å) Ni(2)-Ni(2) bond lengths. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Mg(2), three equivalent Ni(1), and three equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra.