LiZn2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-61°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. Zn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OZn2Fe2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(3), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Fe(1), one Fe(3), and two equivalent Zn(1) atoms.
LiZn2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-61°. Both Li(1)-O(2) bond lengths are 1.87 Å. Both Li(1)-O(4) bond lengths are 1.95 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. Both Fe(1)-O(3) bond lengths are 1.93 Å. Both Fe(1)-O(4) bond lengths are 1.92 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-60°. Both Fe(2)-O(1) bond lengths are 1.87 Å. Both Fe(2)-O(2) bond lengths are 1.93 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. The Fe(3)-O(1) bond length is 2.03 Å. The Fe(3)-O(4) bond length is 2.23 Å. Both Fe(3)-O(2) bond lengths are 2.04 Å. Both Fe(3)-O(3) bond lengths are 2.14 Å. Zn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. The Zn(1)-O(3) bond length is 1.97 Å. Both Zn(1)-O(1) bond lengths are 2.02 Å. Both Zn(1)-O(4) bond lengths are 2.10 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OZn2Fe2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(3), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Fe(1), one Fe(3), and two equivalent Zn(1) atoms.