Li(Fe2O3)4 is Spinel-like structured and crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and corners with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(4), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and corners with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the fifth Fe site, Fe(5) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(12), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and corners with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(11), one O(12), one O(2), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(4), and one Fe(8) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(5), one Fe(6), and one Fe(7) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(3), one Fe(5), one Fe(6), and one Fe(7) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(4), one Fe(5), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(5), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(6), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(3), one Fe(7), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(7), and one Fe(8) atom.
Li(Fe2O3)4 is Spinel-like structured and crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The Li(1)-O(1) bond length is 2.16 Å. The Li(1)-O(10) bond length is 2.15 Å. The Li(1)-O(11) bond length is 2.14 Å. The Li(1)-O(12) bond length is 2.15 Å. The Li(1)-O(7) bond length is 2.14 Å. The Li(1)-O(9) bond length is 2.13 Å. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and corners with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. The Fe(1)-O(10) bond length is 1.93 Å. The Fe(1)-O(3) bond length is 1.95 Å. The Fe(1)-O(4) bond length is 1.95 Å. The Fe(1)-O(9) bond length is 1.93 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(4), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The Fe(2)-O(1) bond length is 2.01 Å. The Fe(2)-O(12) bond length is 2.02 Å. The Fe(2)-O(2) bond length is 2.08 Å. The Fe(2)-O(3) bond length is 2.04 Å. The Fe(2)-O(4) bond length is 2.09 Å. The Fe(2)-O(5) bond length is 2.07 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The Fe(3)-O(1) bond length is 2.07 Å. The Fe(3)-O(11) bond length is 2.08 Å. The Fe(3)-O(2) bond length is 2.17 Å. The Fe(3)-O(3) bond length is 2.15 Å. The Fe(3)-O(4) bond length is 2.15 Å. The Fe(3)-O(6) bond length is 2.19 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and corners with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. The Fe(4)-O(1) bond length is 1.89 Å. The Fe(4)-O(2) bond length is 1.94 Å. The Fe(4)-O(7) bond length is 1.93 Å. The Fe(4)-O(8) bond length is 1.97 Å. In the fifth Fe site, Fe(5) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The Fe(5)-O(4) bond length is 2.06 Å. The Fe(5)-O(5) bond length is 2.09 Å. The Fe(5)-O(6) bond length is 2.04 Å. The Fe(5)-O(7) bond length is 2.02 Å. The Fe(5)-O(8) bond length is 2.09 Å. The Fe(5)-O(9) bond length is 2.02 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The Fe(6)-O(10) bond length is 2.00 Å. The Fe(6)-O(3) bond length is 2.08 Å. The Fe(6)-O(5) bond length is 2.10 Å. The Fe(6)-O(6) bond length is 2.04 Å. The Fe(6)-O(7) bond length is 2.01 Å. The Fe(6)-O(8) bond length is 2.09 Å. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(12), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, and corners with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. The Fe(7)-O(11) bond length is 1.88 Å. The Fe(7)-O(12) bond length is 1.92 Å. The Fe(7)-O(5) bond length is 1.98 Å. The Fe(7)-O(6) bond length is 1.96 Å. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(11), one O(12), one O(2), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The Fe(8)-O(10) bond length is 2.06 Å. The Fe(8)-O(11) bond length is 2.02 Å. The Fe(8)-O(12) bond length is 2.05 Å. The Fe(8)-O(2) bond length is 2.04 Å. The Fe(8)-O(8) bond length is 2.06 Å. The Fe(8)-O(9) bond length is 2.05 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(4), and one Fe(8) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(5), one Fe(6), and one Fe(7) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(3), one Fe(5), one Fe(6), and one Fe(7) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(4), one Fe(5), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(5), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(6), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(3), one Fe(7), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(7), and one Fe(8) atom.