MgZn2(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Zn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form ZnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one Zn(2) atom to form OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(6)MgZn2Ni2 square pyramid,  a cornercorner with one O(7)MgZn2Ni2 square pyramid, corners with four equivalent O(8)MgZn2Ni2 square pyramids,  a cornercorner with one O(4)Ni4 tetrahedra, corners with two equivalent O(5)ZnNi3 tetrahedra,  an edgeedge with one O(6)MgZn2Ni2 square pyramid,  an edgeedge with one O(7)MgZn2Ni2 square pyramid, edges with two equivalent O(2)MgZnNi3 square pyramids, edges with two equivalent O(3)MgZnNi3 square pyramids, and  an edgeedge with one O(4)Ni4 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one Zn(2) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(6)MgZn2Ni2 square pyramid,  a cornercorner with one O(8)MgZn2Ni2 square pyramid, corners with four equivalent O(7)MgZn2Ni2 square pyramids,  a cornercorner with one O(4)Ni4 tetrahedra, corners with two equivalent O(5)ZnNi3 tetrahedra,  an edgeedge with one O(6)MgZn2Ni2 square pyramid,  an edgeedge with one O(8)MgZn2Ni2 square pyramid, edges with two equivalent O(3)MgZnNi3 square pyramids,  an edgeedge with one O(4)Ni4 tetrahedra, and edges with two equivalent O(1)MgZnNi3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one Zn(2) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(7)MgZn2Ni2 square pyramid,  a cornercorner with one O(8)MgZn2Ni2 square pyramid, corners with four equivalent O(6)MgZn2Ni2 square pyramids,  a cornercorner with one O(4)Ni4 tetrahedra, corners with two equivalent O(5)ZnNi3 tetrahedra,  an edgeedge with one O(7)MgZn2Ni2 square pyramid,  an edgeedge with one O(8)MgZn2Ni2 square pyramid, edges with two equivalent O(2)MgZnNi3 square pyramids,  an edgeedge with one O(4)Ni4 tetrahedra, and edges with two equivalent O(1)MgZnNi3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form ONi4 tetrahedra that share  a cornercorner with one O(2)MgZnNi3 square pyramid,  a cornercorner with one O(3)MgZnNi3 square pyramid, corners with two equivalent O(6)MgZn2Ni2 square pyramids, corners with two equivalent O(7)MgZn2Ni2 square pyramids, corners with two equivalent O(8)MgZn2Ni2 square pyramids, corners with three equivalent O(5)ZnNi3 tetrahedra,  a cornercorner with one O(1)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(2)MgZnNi3 square pyramid,  an edgeedge with one O(3)MgZnNi3 square pyramid, and  an edgeedge with one O(1)MgZnNi3 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted OZnNi3 tetrahedra that share  a cornercorner with one O(6)MgZn2Ni2 square pyramid,  a cornercorner with one O(7)MgZn2Ni2 square pyramid,  a cornercorner with one O(8)MgZn2Ni2 square pyramid, corners with two equivalent O(2)MgZnNi3 square pyramids, corners with two equivalent O(3)MgZnNi3 square pyramids, corners with three equivalent O(4)Ni4 tetrahedra, corners with two equivalent O(1)MgZnNi3 trigonal bipyramids,  an edgeedge with one O(6)MgZn2Ni2 square pyramid,  an edgeedge with one O(7)MgZn2Ni2 square pyramid, and  an edgeedge with one O(8)MgZn2Ni2 square pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ni(3), one Ni(4), one Zn(1), and one Zn(2) atom to form OMgZn2Ni2 square pyramids that share  a cornercorner with one O(2)MgZnNi3 square pyramid, corners with four equivalent O(3)MgZnNi3 square pyramids,  a cornercorner with one O(5)ZnNi3 tetrahedra, corners with two equivalent O(4)Ni4 tetrahedra,  a cornercorner with one O(1)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(2)MgZnNi3 square pyramid, edges with two equivalent O(7)MgZn2Ni2 square pyramids, edges with two equivalent O(8)MgZn2Ni2 square pyramids,  an edgeedge with one O(5)ZnNi3 tetrahedra, and  an edgeedge with one O(1)MgZnNi3 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Ni(2), one Ni(4), one Zn(1), and one Zn(2) atom to form OMgZn2Ni2 square pyramids that share  a cornercorner with one O(3)MgZnNi3 square pyramid, corners with four equivalent O(2)MgZnNi3 square pyramids,  a cornercorner with one O(5)ZnNi3 tetrahedra, corners with two equivalent O(4)Ni4 tetrahedra,  a cornercorner with one O(1)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(3)MgZnNi3 square pyramid, edges with two equivalent O(6)MgZn2Ni2 square pyramids, edges with two equivalent O(8)MgZn2Ni2 square pyramids,  an edgeedge with one O(5)ZnNi3 tetrahedra, and  an edgeedge with one O(1)MgZnNi3 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Mg(1), one Ni(2), one Ni(3), one Zn(1), and one Zn(2) atom to form OMgZn2Ni2 square pyramids that share  a cornercorner with one O(2)MgZnNi3 square pyramid,  a cornercorner with one O(3)MgZnNi3 square pyramid,  a cornercorner with one O(5)ZnNi3 tetrahedra, corners with two equivalent O(4)Ni4 tetrahedra, corners with four equivalent O(1)MgZnNi3 trigonal bipyramids,  an edgeedge with one O(2)MgZnNi3 square pyramid,  an edgeedge with one O(3)MgZnNi3 square pyramid, edges with two equivalent O(6)MgZn2Ni2 square pyramids, edges with two equivalent O(7)MgZn2Ni2 square pyramids, and  an edgeedge with one O(5)ZnNi3 tetrahedra.
MgZn2(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Zn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. The Mg(1)-O(1) bond length is 2.09 Å. The Mg(1)-O(2) bond length is 2.09 Å. The Mg(1)-O(3) bond length is 2.09 Å. The Mg(1)-O(6) bond length is 2.09 Å. The Mg(1)-O(7) bond length is 2.10 Å. The Mg(1)-O(8) bond length is 2.08 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Ni(1)-O(1) bond length is 2.03 Å. The Ni(1)-O(2) bond length is 2.06 Å. The Ni(1)-O(3) bond length is 2.05 Å. The Ni(1)-O(4) bond length is 1.91 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The Ni(2)-O(1) bond length is 2.08 Å. The Ni(2)-O(2) bond length is 2.11 Å. The Ni(2)-O(4) bond length is 1.92 Å. The Ni(2)-O(5) bond length is 1.93 Å. The Ni(2)-O(7) bond length is 2.10 Å. The Ni(2)-O(8) bond length is 2.09 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The Ni(3)-O(1) bond length is 2.08 Å. The Ni(3)-O(3) bond length is 2.11 Å. The Ni(3)-O(4) bond length is 1.92 Å. The Ni(3)-O(5) bond length is 1.93 Å. The Ni(3)-O(6) bond length is 2.10 Å. The Ni(3)-O(8) bond length is 2.09 Å. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The Ni(4)-O(2) bond length is 2.09 Å. The Ni(4)-O(3) bond length is 2.09 Å. The Ni(4)-O(4) bond length is 1.94 Å. The Ni(4)-O(5) bond length is 1.94 Å. The Ni(4)-O(6) bond length is 2.09 Å. The Ni(4)-O(7) bond length is 2.09 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. The Zn(1)-O(5) bond length is 1.87 Å. The Zn(1)-O(6) bond length is 2.07 Å. The Zn(1)-O(7) bond length is 2.06 Å. The Zn(1)-O(8) bond length is 2.10 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form ZnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. The Zn(2)-O(1) bond length is 2.20 Å. The Zn(2)-O(2) bond length is 2.18 Å. The Zn(2)-O(3) bond length is 2.18 Å. The Zn(2)-O(6) bond length is 2.18 Å. The Zn(2)-O(7) bond length is 2.19 Å. The Zn(2)-O(8) bond length is 2.17 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one Zn(2) atom to form OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(6)MgZn2Ni2 square pyramid,  a cornercorner with one O(7)MgZn2Ni2 square pyramid, corners with four equivalent O(8)MgZn2Ni2 square pyramids,  a cornercorner with one O(4)Ni4 tetrahedra, corners with two equivalent O(5)ZnNi3 tetrahedra,  an edgeedge with one O(6)MgZn2Ni2 square pyramid,  an edgeedge with one O(7)MgZn2Ni2 square pyramid, edges with two equivalent O(2)MgZnNi3 square pyramids, edges with two equivalent O(3)MgZnNi3 square pyramids, and  an edgeedge with one O(4)Ni4 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one Zn(2) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(6)MgZn2Ni2 square pyramid,  a cornercorner with one O(8)MgZn2Ni2 square pyramid, corners with four equivalent O(7)MgZn2Ni2 square pyramids,  a cornercorner with one O(4)Ni4 tetrahedra, corners with two equivalent O(5)ZnNi3 tetrahedra,  an edgeedge with one O(6)MgZn2Ni2 square pyramid,  an edgeedge with one O(8)MgZn2Ni2 square pyramid, edges with two equivalent O(3)MgZnNi3 square pyramids,  an edgeedge with one O(4)Ni4 tetrahedra, and edges with two equivalent O(1)MgZnNi3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one Zn(2) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(7)MgZn2Ni2 square pyramid,  a cornercorner with one O(8)MgZn2Ni2 square pyramid, corners with four equivalent O(6)MgZn2Ni2 square pyramids,  a cornercorner with one O(4)Ni4 tetrahedra, corners with two equivalent O(5)ZnNi3 tetrahedra,  an edgeedge with one O(7)MgZn2Ni2 square pyramid,  an edgeedge with one O(8)MgZn2Ni2 square pyramid, edges with two equivalent O(2)MgZnNi3 square pyramids,  an edgeedge with one O(4)Ni4 tetrahedra, and edges with two equivalent O(1)MgZnNi3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form ONi4 tetrahedra that share  a cornercorner with one O(2)MgZnNi3 square pyramid,  a cornercorner with one O(3)MgZnNi3 square pyramid, corners with two equivalent O(6)MgZn2Ni2 square pyramids, corners with two equivalent O(7)MgZn2Ni2 square pyramids, corners with two equivalent O(8)MgZn2Ni2 square pyramids, corners with three equivalent O(5)ZnNi3 tetrahedra,  a cornercorner with one O(1)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(2)MgZnNi3 square pyramid,  an edgeedge with one O(3)MgZnNi3 square pyramid, and  an edgeedge with one O(1)MgZnNi3 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted OZnNi3 tetrahedra that share  a cornercorner with one O(6)MgZn2Ni2 square pyramid,  a cornercorner with one O(7)MgZn2Ni2 square pyramid,  a cornercorner with one O(8)MgZn2Ni2 square pyramid, corners with two equivalent O(2)MgZnNi3 square pyramids, corners with two equivalent O(3)MgZnNi3 square pyramids, corners with three equivalent O(4)Ni4 tetrahedra, corners with two equivalent O(1)MgZnNi3 trigonal bipyramids,  an edgeedge with one O(6)MgZn2Ni2 square pyramid,  an edgeedge with one O(7)MgZn2Ni2 square pyramid, and  an edgeedge with one O(8)MgZn2Ni2 square pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ni(3), one Ni(4), one Zn(1), and one Zn(2) atom to form OMgZn2Ni2 square pyramids that share  a cornercorner with one O(2)MgZnNi3 square pyramid, corners with four equivalent O(3)MgZnNi3 square pyramids,  a cornercorner with one O(5)ZnNi3 tetrahedra, corners with two equivalent O(4)Ni4 tetrahedra,  a cornercorner with one O(1)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(2)MgZnNi3 square pyramid, edges with two equivalent O(7)MgZn2Ni2 square pyramids, edges with two equivalent O(8)MgZn2Ni2 square pyramids,  an edgeedge with one O(5)ZnNi3 tetrahedra, and  an edgeedge with one O(1)MgZnNi3 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Ni(2), one Ni(4), one Zn(1), and one Zn(2) atom to form OMgZn2Ni2 square pyramids that share  a cornercorner with one O(3)MgZnNi3 square pyramid, corners with four equivalent O(2)MgZnNi3 square pyramids,  a cornercorner with one O(5)ZnNi3 tetrahedra, corners with two equivalent O(4)Ni4 tetrahedra,  a cornercorner with one O(1)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(3)MgZnNi3 square pyramid, edges with two equivalent O(6)MgZn2Ni2 square pyramids, edges with two equivalent O(8)MgZn2Ni2 square pyramids,  an edgeedge with one O(5)ZnNi3 tetrahedra, and  an edgeedge with one O(1)MgZnNi3 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Mg(1), one Ni(2), one Ni(3), one Zn(1), and one Zn(2) atom to form OMgZn2Ni2 square pyramids that share  a cornercorner with one O(2)MgZnNi3 square pyramid,  a cornercorner with one O(3)MgZnNi3 square pyramid,  a cornercorner with one O(5)ZnNi3 tetrahedra, corners with two equivalent O(4)Ni4 tetrahedra, corners with four equivalent O(1)MgZnNi3 trigonal bipyramids,  an edgeedge with one O(2)MgZnNi3 square pyramid,  an edgeedge with one O(3)MgZnNi3 square pyramid, edges with two equivalent O(6)MgZn2Ni2 square pyramids, edges with two equivalent O(7)MgZn2Ni2 square pyramids, and  an edgeedge with one O(5)ZnNi3 tetrahedra.