MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-72°. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), two equivalent Ni(2), and one Zn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), two equivalent Ni(2), and one Zn(1) atom to form a mixture of edge and corner-sharing OZnNi3 tetrahedra.
MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. Both Mg(1)-O(2) bond lengths are 2.02 Å. Both Mg(1)-O(3) bond lengths are 1.91 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The Ni(1)-O(2) bond length is 2.23 Å. The Ni(1)-O(4) bond length is 2.15 Å. There is one shorter (2.04 Å) and one longer (2.05 Å) Ni(1)-O(1) bond length. Both Ni(1)-O(3) bond lengths are 2.02 Å. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. The Ni(2)-O(1) bond length is 2.00 Å. Both Ni(2)-O(2) bond lengths are 2.07 Å. Both Ni(2)-O(4) bond lengths are 1.94 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-72°. Both Zn(1)-O(3) bond lengths are 2.16 Å. Both Zn(1)-O(4) bond lengths are 1.88 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-66°. Both Zn(2)-O(1) bond lengths are 2.05 Å. Both Zn(2)-O(2) bond lengths are 2.01 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), two equivalent Ni(2), and one Zn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), two equivalent Ni(2), and one Zn(1) atom to form a mixture of edge and corner-sharing OZnNi3 tetrahedra.