Mn2Zn(CuO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form MnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-53°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-61°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. Zn(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(1), and one Zn(1) atom. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Cu(2), and one Zn(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(1), and one Zn(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Cu(2) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Cu(1), and two equivalent Zn(1) atoms. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(2), and one Zn(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one Cu(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Cu(1), and one Cu(2) atom.
Mn2Zn(CuO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form MnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-53°. The Mn(1)-O(1) bond length is 1.75 Å. The Mn(1)-O(2) bond length is 1.71 Å. The Mn(1)-O(4) bond length is 1.74 Å. The Mn(1)-O(7) bond length is 1.71 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-61°. The Mn(2)-O(3) bond length is 1.77 Å. The Mn(2)-O(5) bond length is 1.71 Å. The Mn(2)-O(6) bond length is 1.75 Å. The Mn(2)-O(8) bond length is 1.74 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. The Cu(1)-O(1) bond length is 1.94 Å. The Cu(1)-O(3) bond length is 2.13 Å. The Cu(1)-O(5) bond length is 1.88 Å. The Cu(1)-O(6) bond length is 2.01 Å. The Cu(1)-O(7) bond length is 2.04 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. The Cu(2)-O(2) bond length is 1.91 Å. The Cu(2)-O(4) bond length is 1.96 Å. The Cu(2)-O(6) bond length is 1.97 Å. The Cu(2)-O(8) bond length is 1.98 Å. Zn(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. The Zn(1)-O(1) bond length is 2.09 Å. The Zn(1)-O(4) bond length is 2.08 Å. The Zn(1)-O(7) bond length is 2.12 Å. The Zn(1)-O(8) bond length is 2.04 Å. There is one shorter (2.06 Å) and one longer (2.31 Å) Zn(1)-O(3) bond length. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(1), and one Zn(1) atom. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Cu(2), and one Zn(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(1), and one Zn(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Cu(2) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Cu(1), and two equivalent Zn(1) atoms. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(2), and one Zn(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one Cu(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Cu(1), and one Cu(2) atom.