Li2(FeO2)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-47°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-48°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi2Fe3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi2Fe3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi2Fe3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids.
Li2(FeO2)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-O(2) bond length is 2.16 Å. The Li(1)-O(3) bond length is 2.19 Å. The Li(1)-O(4) bond length is 2.18 Å. The Li(1)-O(5) bond length is 2.10 Å. The Li(1)-O(6) bond length is 2.17 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. The Li(2)-O(1) bond length is 2.16 Å. The Li(2)-O(2) bond length is 2.07 Å. The Li(2)-O(3) bond length is 2.22 Å. The Li(2)-O(4) bond length is 2.17 Å. The Li(2)-O(5) bond length is 2.09 Å. The Li(2)-O(6) bond length is 2.16 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. The Fe(1)-O(1) bond length is 1.94 Å. The Fe(1)-O(2) bond length is 1.95 Å. The Fe(1)-O(3) bond length is 1.93 Å. The Fe(1)-O(4) bond length is 1.93 Å. The Fe(1)-O(5) bond length is 1.94 Å. The Fe(1)-O(6) bond length is 1.92 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-47°. The Fe(2)-O(1) bond length is 1.93 Å. The Fe(2)-O(2) bond length is 1.92 Å. The Fe(2)-O(3) bond length is 1.94 Å. The Fe(2)-O(4) bond length is 1.93 Å. The Fe(2)-O(5) bond length is 1.93 Å. The Fe(2)-O(6) bond length is 1.91 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-48°. The Fe(3)-O(1) bond length is 1.92 Å. The Fe(3)-O(2) bond length is 1.93 Å. The Fe(3)-O(3) bond length is 1.93 Å. The Fe(3)-O(4) bond length is 1.94 Å. The Fe(3)-O(5) bond length is 1.93 Å. The Fe(3)-O(6) bond length is 1.92 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi2Fe3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi2Fe3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi2Fe3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids.