MgZn2(CuO2)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 Cu(2)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(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 CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, edges with two equivalent Cu(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the third Cu site, Cu(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 CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with two equivalent Cu(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the fourth Cu site, Cu(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 CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with two equivalent Cu(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 Cu(2)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Cu(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 Cu(1), one Cu(2), one Cu(3), and one Zn(2) atom to form OMgZnCu3 square pyramids that share  a cornercorner with one O(6)MgZn2Cu2 square pyramid,  a cornercorner with one O(7)MgZn2Cu2 square pyramid,  a cornercorner with one O(4)Cu4 tetrahedra, corners with two equivalent O(5)ZnCu3 tetrahedra, corners with four equivalent O(8)MgZn2Cu2 trigonal bipyramids,  an edgeedge with one O(6)MgZn2Cu2 square pyramid,  an edgeedge with one O(7)MgZn2Cu2 square pyramid,  an edgeedge with one O(4)Cu4 tetrahedra, edges with two equivalent O(2)MgZnCu3 trigonal bipyramids, and edges with two equivalent O(3)MgZnCu3 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Cu(1), one Cu(2), one Cu(4), and one Zn(2) atom to form OMgZnCu3 trigonal bipyramids that share  a cornercorner with one O(6)MgZn2Cu2 square pyramid, corners with four equivalent O(7)MgZn2Cu2 square pyramids,  a cornercorner with one O(4)Cu4 tetrahedra, corners with two equivalent O(5)ZnCu3 tetrahedra,  a cornercorner with one O(8)MgZn2Cu2 trigonal bipyramid,  an edgeedge with one O(6)MgZn2Cu2 square pyramid, edges with two equivalent O(1)MgZnCu3 square pyramids,  an edgeedge with one O(4)Cu4 tetrahedra,  an edgeedge with one O(8)MgZn2Cu2 trigonal bipyramid, and edges with two equivalent O(3)MgZnCu3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Cu(1), one Cu(3), one Cu(4), and one Zn(2) atom to form OMgZnCu3 trigonal bipyramids that share  a cornercorner with one O(7)MgZn2Cu2 square pyramid, corners with four equivalent O(6)MgZn2Cu2 square pyramids,  a cornercorner with one O(4)Cu4 tetrahedra, corners with two equivalent O(5)ZnCu3 tetrahedra,  a cornercorner with one O(8)MgZn2Cu2 trigonal bipyramid,  an edgeedge with one O(7)MgZn2Cu2 square pyramid, edges with two equivalent O(1)MgZnCu3 square pyramids,  an edgeedge with one O(4)Cu4 tetrahedra,  an edgeedge with one O(8)MgZn2Cu2 trigonal bipyramid, and edges with two equivalent O(2)MgZnCu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form OCu4 tetrahedra that share  a cornercorner with one O(1)MgZnCu3 square pyramid, corners with two equivalent O(6)MgZn2Cu2 square pyramids, corners with two equivalent O(7)MgZn2Cu2 square pyramids, corners with three equivalent O(5)ZnCu3 tetrahedra,  a cornercorner with one O(2)MgZnCu3 trigonal bipyramid,  a cornercorner with one O(3)MgZnCu3 trigonal bipyramid, corners with two equivalent O(8)MgZn2Cu2 trigonal bipyramids,  an edgeedge with one O(1)MgZnCu3 square pyramid,  an edgeedge with one O(2)MgZnCu3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnCu3 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Cu(2), one Cu(3), one Cu(4), and one Zn(1) atom to form OZnCu3 tetrahedra that share  a cornercorner with one O(6)MgZn2Cu2 square pyramid,  a cornercorner with one O(7)MgZn2Cu2 square pyramid, corners with two equivalent O(1)MgZnCu3 square pyramids, corners with three equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(8)MgZn2Cu2 trigonal bipyramid, corners with two equivalent O(2)MgZnCu3 trigonal bipyramids, corners with two equivalent O(3)MgZnCu3 trigonal bipyramids,  an edgeedge with one O(6)MgZn2Cu2 square pyramid,  an edgeedge with one O(7)MgZn2Cu2 square pyramid, and  an edgeedge with one O(8)MgZn2Cu2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Cu(3), one Cu(4), one Zn(1), and one Zn(2) atom to form OMgZn2Cu2 square pyramids that share  a cornercorner with one O(1)MgZnCu3 square pyramid,  a cornercorner with one O(5)ZnCu3 tetrahedra, corners with two equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(2)MgZnCu3 trigonal bipyramid, corners with four equivalent O(3)MgZnCu3 trigonal bipyramids,  an edgeedge with one O(1)MgZnCu3 square pyramid, edges with two equivalent O(7)MgZn2Cu2 square pyramids,  an edgeedge with one O(5)ZnCu3 tetrahedra,  an edgeedge with one O(2)MgZnCu3 trigonal bipyramid, and edges with two equivalent O(8)MgZn2Cu2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Cu(2), one Cu(4), one Zn(1), and one Zn(2) atom to form OMgZn2Cu2 square pyramids that share  a cornercorner with one O(1)MgZnCu3 square pyramid,  a cornercorner with one O(5)ZnCu3 tetrahedra, corners with two equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(3)MgZnCu3 trigonal bipyramid, corners with four equivalent O(2)MgZnCu3 trigonal bipyramids,  an edgeedge with one O(1)MgZnCu3 square pyramid, edges with two equivalent O(6)MgZn2Cu2 square pyramids,  an edgeedge with one O(5)ZnCu3 tetrahedra,  an edgeedge with one O(3)MgZnCu3 trigonal bipyramid, and edges with two equivalent O(8)MgZn2Cu2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Cu(2), one Cu(3), one Zn(1), and one Zn(2) atom to form OMgZn2Cu2 trigonal bipyramids that share corners with four equivalent O(1)MgZnCu3 square pyramids,  a cornercorner with one O(5)ZnCu3 tetrahedra, corners with two equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(2)MgZnCu3 trigonal bipyramid,  a cornercorner with one O(3)MgZnCu3 trigonal bipyramid, edges with two equivalent O(6)MgZn2Cu2 square pyramids, edges with two equivalent O(7)MgZn2Cu2 square pyramids,  an edgeedge with one O(5)ZnCu3 tetrahedra,  an edgeedge with one O(2)MgZnCu3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnCu3 trigonal bipyramid.
MgZn2(CuO2)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 Cu(2)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. The Mg(1)-O(1) bond length is 2.08 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 2.10 Å. The Mg(1)-O(7) bond length is 2.11 Å. The Mg(1)-O(8) bond length is 2.12 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(1)-O(1) bond length is 2.15 Å. The Cu(1)-O(2) bond length is 2.09 Å. The Cu(1)-O(3) bond length is 2.05 Å. The Cu(1)-O(4) bond length is 1.84 Å. In the second Cu site, Cu(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 CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, edges with two equivalent Cu(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The Cu(2)-O(1) bond length is 2.09 Å. The Cu(2)-O(2) bond length is 2.09 Å. The Cu(2)-O(4) bond length is 1.93 Å. The Cu(2)-O(5) bond length is 1.94 Å. The Cu(2)-O(7) bond length is 2.11 Å. The Cu(2)-O(8) bond length is 2.11 Å. In the third Cu site, Cu(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 CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with two equivalent Cu(4)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The Cu(3)-O(1) bond length is 2.09 Å. The Cu(3)-O(3) bond length is 2.10 Å. The Cu(3)-O(4) bond length is 1.93 Å. The Cu(3)-O(5) bond length is 1.93 Å. The Cu(3)-O(6) bond length is 2.11 Å. The Cu(3)-O(8) bond length is 2.10 Å. In the fourth Cu site, Cu(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 CuO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The Cu(4)-O(2) bond length is 2.10 Å. The Cu(4)-O(3) bond length is 2.10 Å. The Cu(4)-O(4) bond length is 1.92 Å. The Cu(4)-O(5) bond length is 1.93 Å. The Cu(4)-O(6) bond length is 2.11 Å. The Cu(4)-O(7) bond length is 2.11 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 1.89 Å. The Zn(1)-O(6) bond length is 2.08 Å. The Zn(1)-O(7) bond length is 2.08 Å. The Zn(1)-O(8) bond length is 2.07 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 Cu(2)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. The Zn(2)-O(1) bond length is 2.18 Å. The Zn(2)-O(2) bond length is 2.20 Å. The Zn(2)-O(3) bond length is 2.22 Å. The Zn(2)-O(6) bond length is 2.17 Å. The Zn(2)-O(7) bond length is 2.18 Å. The Zn(2)-O(8) bond length is 2.18 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Cu(1), one Cu(2), one Cu(3), and one Zn(2) atom to form OMgZnCu3 square pyramids that share  a cornercorner with one O(6)MgZn2Cu2 square pyramid,  a cornercorner with one O(7)MgZn2Cu2 square pyramid,  a cornercorner with one O(4)Cu4 tetrahedra, corners with two equivalent O(5)ZnCu3 tetrahedra, corners with four equivalent O(8)MgZn2Cu2 trigonal bipyramids,  an edgeedge with one O(6)MgZn2Cu2 square pyramid,  an edgeedge with one O(7)MgZn2Cu2 square pyramid,  an edgeedge with one O(4)Cu4 tetrahedra, edges with two equivalent O(2)MgZnCu3 trigonal bipyramids, and edges with two equivalent O(3)MgZnCu3 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Cu(1), one Cu(2), one Cu(4), and one Zn(2) atom to form OMgZnCu3 trigonal bipyramids that share  a cornercorner with one O(6)MgZn2Cu2 square pyramid, corners with four equivalent O(7)MgZn2Cu2 square pyramids,  a cornercorner with one O(4)Cu4 tetrahedra, corners with two equivalent O(5)ZnCu3 tetrahedra,  a cornercorner with one O(8)MgZn2Cu2 trigonal bipyramid,  an edgeedge with one O(6)MgZn2Cu2 square pyramid, edges with two equivalent O(1)MgZnCu3 square pyramids,  an edgeedge with one O(4)Cu4 tetrahedra,  an edgeedge with one O(8)MgZn2Cu2 trigonal bipyramid, and edges with two equivalent O(3)MgZnCu3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Cu(1), one Cu(3), one Cu(4), and one Zn(2) atom to form OMgZnCu3 trigonal bipyramids that share  a cornercorner with one O(7)MgZn2Cu2 square pyramid, corners with four equivalent O(6)MgZn2Cu2 square pyramids,  a cornercorner with one O(4)Cu4 tetrahedra, corners with two equivalent O(5)ZnCu3 tetrahedra,  a cornercorner with one O(8)MgZn2Cu2 trigonal bipyramid,  an edgeedge with one O(7)MgZn2Cu2 square pyramid, edges with two equivalent O(1)MgZnCu3 square pyramids,  an edgeedge with one O(4)Cu4 tetrahedra,  an edgeedge with one O(8)MgZn2Cu2 trigonal bipyramid, and edges with two equivalent O(2)MgZnCu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form OCu4 tetrahedra that share  a cornercorner with one O(1)MgZnCu3 square pyramid, corners with two equivalent O(6)MgZn2Cu2 square pyramids, corners with two equivalent O(7)MgZn2Cu2 square pyramids, corners with three equivalent O(5)ZnCu3 tetrahedra,  a cornercorner with one O(2)MgZnCu3 trigonal bipyramid,  a cornercorner with one O(3)MgZnCu3 trigonal bipyramid, corners with two equivalent O(8)MgZn2Cu2 trigonal bipyramids,  an edgeedge with one O(1)MgZnCu3 square pyramid,  an edgeedge with one O(2)MgZnCu3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnCu3 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Cu(2), one Cu(3), one Cu(4), and one Zn(1) atom to form OZnCu3 tetrahedra that share  a cornercorner with one O(6)MgZn2Cu2 square pyramid,  a cornercorner with one O(7)MgZn2Cu2 square pyramid, corners with two equivalent O(1)MgZnCu3 square pyramids, corners with three equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(8)MgZn2Cu2 trigonal bipyramid, corners with two equivalent O(2)MgZnCu3 trigonal bipyramids, corners with two equivalent O(3)MgZnCu3 trigonal bipyramids,  an edgeedge with one O(6)MgZn2Cu2 square pyramid,  an edgeedge with one O(7)MgZn2Cu2 square pyramid, and  an edgeedge with one O(8)MgZn2Cu2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Cu(3), one Cu(4), one Zn(1), and one Zn(2) atom to form OMgZn2Cu2 square pyramids that share  a cornercorner with one O(1)MgZnCu3 square pyramid,  a cornercorner with one O(5)ZnCu3 tetrahedra, corners with two equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(2)MgZnCu3 trigonal bipyramid, corners with four equivalent O(3)MgZnCu3 trigonal bipyramids,  an edgeedge with one O(1)MgZnCu3 square pyramid, edges with two equivalent O(7)MgZn2Cu2 square pyramids,  an edgeedge with one O(5)ZnCu3 tetrahedra,  an edgeedge with one O(2)MgZnCu3 trigonal bipyramid, and edges with two equivalent O(8)MgZn2Cu2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Cu(2), one Cu(4), one Zn(1), and one Zn(2) atom to form OMgZn2Cu2 square pyramids that share  a cornercorner with one O(1)MgZnCu3 square pyramid,  a cornercorner with one O(5)ZnCu3 tetrahedra, corners with two equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(3)MgZnCu3 trigonal bipyramid, corners with four equivalent O(2)MgZnCu3 trigonal bipyramids,  an edgeedge with one O(1)MgZnCu3 square pyramid, edges with two equivalent O(6)MgZn2Cu2 square pyramids,  an edgeedge with one O(5)ZnCu3 tetrahedra,  an edgeedge with one O(3)MgZnCu3 trigonal bipyramid, and edges with two equivalent O(8)MgZn2Cu2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Cu(2), one Cu(3), one Zn(1), and one Zn(2) atom to form OMgZn2Cu2 trigonal bipyramids that share corners with four equivalent O(1)MgZnCu3 square pyramids,  a cornercorner with one O(5)ZnCu3 tetrahedra, corners with two equivalent O(4)Cu4 tetrahedra,  a cornercorner with one O(2)MgZnCu3 trigonal bipyramid,  a cornercorner with one O(3)MgZnCu3 trigonal bipyramid, edges with two equivalent O(6)MgZn2Cu2 square pyramids, edges with two equivalent O(7)MgZn2Cu2 square pyramids,  an edgeedge with one O(5)ZnCu3 tetrahedra,  an edgeedge with one O(2)MgZnCu3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnCu3 trigonal bipyramid.