MgZn2(FeO2)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, and corners with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Zn(2)O6 pentagonal pyramid, and edges with three equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 60°. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted FeO5 square pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an L-shaped geometry to two equivalent O(4) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted ZnO6 pentagonal pyramids that share corners with eight equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, edges with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Zn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 25-69°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and two equivalent Zn(2) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with four equivalent O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(1)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(3)Zn2Fe2 tetrahedra, and edges with three equivalent O(1)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Zn(2) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with eight equivalent O(1)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms.
MgZn2(FeO2)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, and corners with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 15°. Both Mg(1)-O(2) bond lengths are 1.94 Å. Both Mg(1)-O(4) bond lengths are 1.99 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Zn(2)O6 pentagonal pyramid, and edges with three equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 60°. The Fe(1)-O(2) bond length is 2.36 Å. The Fe(1)-O(3) bond length is 2.04 Å. Both Fe(1)-O(1) bond lengths are 2.14 Å. Both Fe(1)-O(5) bond lengths are 2.16 Å. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted FeO5 square pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 18°. The Fe(2)-O(1) bond length is 1.92 Å. Both Fe(2)-O(2) bond lengths are 2.04 Å. Both Fe(2)-O(5) bond lengths are 2.02 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an L-shaped geometry to two equivalent O(4) atoms. Both Zn(1)-O(4) bond lengths are 2.01 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted ZnO6 pentagonal pyramids that share corners with eight equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, edges with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Zn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 25-69°. Both Zn(2)-O(3) bond lengths are 2.08 Å. There are two shorter (2.29 Å) and two longer (2.30 Å) Zn(2)-O(1) bond lengths. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and two equivalent Zn(2) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with four equivalent O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(1)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(3)Zn2Fe2 tetrahedra, and edges with three equivalent O(1)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Zn(2) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with eight equivalent O(1)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms.