LiZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Zn(1)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 to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form OLiZn2Fe2 square pyramids that share  a cornercorner with one O(2)LiZnFe3 square pyramid, corners with five equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with three equivalent O(1)LiZn2Fe2 square pyramids, edges with three equivalent O(2)LiZnFe3 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Fe(1), two equivalent Fe(2), and one Zn(1) atom to form OLiZnFe3 square pyramids that share corners with two equivalent O(1)LiZn2Fe2 square pyramids, corners with four equivalent O(2)LiZnFe3 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with six equivalent O(1)LiZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(2)LiZnFe3 square pyramids, corners with six equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids,  an edgeedge with one O(2)LiZnFe3 square pyramid, and edges with two equivalent O(1)LiZn2Fe2 square pyramids.
LiZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Both Li(1)-O(2) bond lengths are 2.07 Å. All Li(1)-O(1) bond lengths are 2.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Fe(1)-O(2) bond length is 1.98 Å. The Fe(1)-O(3) bond length is 1.88 Å. Both Fe(1)-O(1) bond lengths are 1.94 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. Both Fe(2)-O(1) bond lengths are 2.09 Å. Both Fe(2)-O(2) bond lengths are 2.15 Å. Both Fe(2)-O(3) bond lengths are 1.98 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Both Zn(1)-O(2) bond lengths are 2.18 Å. All Zn(1)-O(1) bond lengths are 2.16 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Both Zn(2)-O(3) bond lengths are 2.01 Å. All Zn(2)-O(1) bond lengths are 2.18 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form OLiZn2Fe2 square pyramids that share  a cornercorner with one O(2)LiZnFe3 square pyramid, corners with five equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with three equivalent O(1)LiZn2Fe2 square pyramids, edges with three equivalent O(2)LiZnFe3 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Fe(1), two equivalent Fe(2), and one Zn(1) atom to form OLiZnFe3 square pyramids that share corners with two equivalent O(1)LiZn2Fe2 square pyramids, corners with four equivalent O(2)LiZnFe3 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with six equivalent O(1)LiZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(2)LiZnFe3 square pyramids, corners with six equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids,  an edgeedge with one O(2)LiZnFe3 square pyramid, and edges with two equivalent O(1)LiZn2Fe2 square pyramids.