Li6Fe5O12 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. 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 LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the third Li site, Li(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 distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the fourth Li site, Li(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. 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,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra, corners with three equivalent O(2)Li2Fe3 square pyramids, corners with three equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid, edges with two equivalent O(2)Li2Fe3 square pyramids, and edges with two equivalent O(5)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 4-13°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(5)Li2Fe3 square pyramid, corners with two equivalent O(2)Li2Fe3 square pyramids, corners with three equivalent O(1)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with three equivalent O(5)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 4-18°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with four equivalent O(4)Li4Fe2 octahedra, edges with four equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(4)Li4Fe2 octahedra, edges with four equivalent O(3)Li4Fe2 octahedra, edges with four equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OLi2Fe3 square pyramids that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(2)Li2Fe3 square pyramid, corners with two equivalent O(5)Li2Fe3 square pyramids, corners with three equivalent O(1)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with three equivalent O(2)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-15°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(3)Li4Fe2 octahedra, edges with four equivalent O(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-10°.
Li6Fe5O12 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. Both Li(1)-O(3) bond lengths are 2.01 Å. Both Li(1)-O(4) bond lengths are 2.02 Å. Both Li(1)-O(6) bond lengths are 2.42 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 LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. The Li(2)-O(1) bond length is 2.11 Å. The Li(2)-O(2) bond length is 2.35 Å. The Li(2)-O(3) bond length is 2.20 Å. The Li(2)-O(4) bond length is 2.10 Å. The Li(2)-O(5) bond length is 2.01 Å. The Li(2)-O(6) bond length is 2.04 Å. In the third Li site, Li(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 distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. The Li(3)-O(1) bond length is 2.07 Å. The Li(3)-O(2) bond length is 2.01 Å. The Li(3)-O(3) bond length is 2.07 Å. The Li(3)-O(4) bond length is 2.21 Å. The Li(3)-O(5) bond length is 2.54 Å. The Li(3)-O(6) bond length is 2.00 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. Both Li(4)-O(3) bond lengths are 2.14 Å. Both Li(4)-O(4) bond lengths are 2.14 Å. Both Li(4)-O(6) bond lengths are 2.10 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. Both Fe(1)-O(1) bond lengths are 2.06 Å. Both Fe(1)-O(2) bond lengths are 2.02 Å. Both Fe(1)-O(5) bond lengths are 1.97 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,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. The Fe(2)-O(1) bond length is 1.95 Å. The Fe(2)-O(2) bond length is 1.97 Å. The Fe(2)-O(3) bond length is 2.07 Å. The Fe(2)-O(4) bond length is 1.92 Å. The Fe(2)-O(5) bond length is 2.09 Å. The Fe(2)-O(6) bond length is 1.91 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. Both Fe(3)-O(1) bond lengths are 2.06 Å. Both Fe(3)-O(2) bond lengths are 2.06 Å. Both Fe(3)-O(5) bond lengths are 1.98 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. Both Fe(4)-O(3) bond lengths are 1.94 Å. Both Fe(4)-O(4) bond lengths are 2.06 Å. Both Fe(4)-O(6) bond lengths are 2.04 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra, corners with three equivalent O(2)Li2Fe3 square pyramids, corners with three equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid, edges with two equivalent O(2)Li2Fe3 square pyramids, and edges with two equivalent O(5)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 4-13°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(5)Li2Fe3 square pyramid, corners with two equivalent O(2)Li2Fe3 square pyramids, corners with three equivalent O(1)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with three equivalent O(5)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 4-18°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with four equivalent O(4)Li4Fe2 octahedra, edges with four equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(4)Li4Fe2 octahedra, edges with four equivalent O(3)Li4Fe2 octahedra, edges with four equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OLi2Fe3 square pyramids that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(2)Li2Fe3 square pyramid, corners with two equivalent O(5)Li2Fe3 square pyramids, corners with three equivalent O(1)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with three equivalent O(2)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-15°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(3)Li4Fe2 octahedra, edges with four equivalent O(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid, and  an edgeedge with one O(5)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-10°.