Li4Fe3(OF3)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), one F(1), one F(6), and two equivalent F(3) atoms to form LiO2F4 octahedra that share  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Li(4)OF5 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, edges with three equivalent Li(3)OF5 octahedra, and edges with three equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Li site, Li(2) is bonded to two equivalent O(1), one F(2), one F(5), and two equivalent F(4) atoms to form LiO2F4 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(4)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra, edges with two equivalent Li(2)O2F4 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, edges with three equivalent Li(4)OF5 octahedra, and edges with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one O(2), one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form distorted LiOF5 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with two equivalent Fe(4)O2F4 octahedra, and edges with three equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fourth Li site, Li(4) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted LiOF5 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra,  a cornercorner with one Fe(4)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Fe(2)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form FeO2F4 octahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra, corners with two equivalent Li(4)OF5 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with four equivalent Li(2)O2F4 octahedra, and edges with four equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), one F(2), one F(4), one F(5), and one F(6) atom to form FeO2F4 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra,  a cornercorner with one Li(3)OF5 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(4)OF5 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra, corners with two equivalent Li(4)OF5 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with four equivalent Li(1)O2F4 octahedra, and edges with four equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), one F(1), one F(3), one F(5), and one F(6) atom to form FeO2F4 octahedra that share  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one Li(4)OF5 octahedra, corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, and edges with three equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Li(2), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(4)Li3Fe2 square pyramid,  a cornercorner with one F(5)Li3Fe2 square pyramid,  a cornercorner with one F(6)Li3Fe2 square pyramid, edges with two equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(6)Li3Fe2 square pyramid, edges with two equivalent F(5)Li3Fe2 square pyramids, edges with three equivalent F(2)Li3Fe2 square pyramids, and edges with four equivalent F(4)Li3Fe2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), one Fe(3), and two equivalent Fe(4) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(3)Li3Fe2 square pyramid,  a cornercorner with one F(5)Li3Fe2 square pyramid,  a cornercorner with one F(6)Li3Fe2 square pyramid, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(5)Li3Fe2 square pyramid, edges with two equivalent F(6)Li3Fe2 square pyramids, edges with three equivalent F(1)Li3Fe2 square pyramids, and edges with four equivalent F(3)Li3Fe2 square pyramids. The corner-sharing octahedra are not tilted. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(4), one Fe(3), and one Fe(4) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(4)Li3Fe2 square pyramid,  a cornercorner with one F(5)Li3Fe2 square pyramid, corners with two equivalent F(3)Li3Fe2 square pyramids, corners with two equivalent F(6)Li3Fe2 square pyramids, edges with three equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(2)Li3Fe2 square pyramid,  an edgeedge with one F(5)Li3Fe2 square pyramid,  an edgeedge with one F(6)Li3Fe2 square pyramid, and edges with two equivalent F(3)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 6-14°. In the second F site, F(2) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(3)Li3Fe2 square pyramid,  a cornercorner with one F(6)Li3Fe2 square pyramid, corners with two equivalent F(4)Li3Fe2 square pyramids, corners with two equivalent F(5)Li3Fe2 square pyramids, edges with three equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(1)Li3Fe2 square pyramid,  an edgeedge with one F(5)Li3Fe2 square pyramid,  an edgeedge with one F(6)Li3Fe2 square pyramid, and edges with two equivalent F(4)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 6-15°. In the third F site, F(3) is bonded to one Li(3), two equivalent Li(1), one Fe(3), and one Fe(4) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(3)Li3Fe2 square pyramid, corners with two equivalent F(1)Li3Fe2 square pyramids, corners with two equivalent F(5)Li3Fe2 square pyramids, corners with two equivalent F(6)Li3Fe2 square pyramids, edges with four equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(3)Li3Fe2 square pyramid,  an edgeedge with one F(6)Li3Fe2 square pyramid, and edges with two equivalent F(1)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fourth F site, F(4) is bonded to one Li(4), two equivalent Li(2), one Fe(1), and one Fe(2) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(4)Li3Fe2 square pyramid, corners with two equivalent F(2)Li3Fe2 square pyramids, corners with two equivalent F(5)Li3Fe2 square pyramids, corners with two equivalent F(6)Li3Fe2 square pyramids, edges with four equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(4)Li3Fe2 square pyramid,  an edgeedge with one F(5)Li3Fe2 square pyramid, and edges with two equivalent F(2)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fifth F site, F(5) is bonded to one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form distorted FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid, corners with two equivalent F(2)Li3Fe2 square pyramids, corners with two equivalent F(3)Li3Fe2 square pyramids, corners with two equivalent F(4)Li3Fe2 square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(1)Li3Fe2 square pyramid,  an edgeedge with one F(2)Li3Fe2 square pyramid,  an edgeedge with one F(4)Li3Fe2 square pyramid, and edges with two equivalent F(6)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 10-11°. In the sixth F site, F(6) is bonded to one Li(1), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form distorted FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(2)Li3Fe2 square pyramid, corners with two equivalent F(1)Li3Fe2 square pyramids, corners with two equivalent F(3)Li3Fe2 square pyramids, corners with two equivalent F(4)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(1)Li3Fe2 square pyramid,  an edgeedge with one F(2)Li3Fe2 square pyramid,  an edgeedge with one F(3)Li3Fe2 square pyramid, and edges with two equivalent F(5)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°.
Li4Fe3(OF3)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), one F(1), one F(6), and two equivalent F(3) atoms to form LiO2F4 octahedra that share  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Li(4)OF5 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, edges with three equivalent Li(3)OF5 octahedra, and edges with three equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There is one shorter (2.12 Å) and one longer (2.26 Å) Li(1)-O(2) bond length. The Li(1)-F(1) bond length is 2.07 Å. The Li(1)-F(6) bond length is 2.09 Å. There is one shorter (2.07 Å) and one longer (2.15 Å) Li(1)-F(3) bond length. In the second Li site, Li(2) is bonded to two equivalent O(1), one F(2), one F(5), and two equivalent F(4) atoms to form LiO2F4 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(4)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Li(3)OF5 octahedra, edges with two equivalent Li(2)O2F4 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, edges with three equivalent Li(4)OF5 octahedra, and edges with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There is one shorter (2.12 Å) and one longer (2.26 Å) Li(2)-O(1) bond length. The Li(2)-F(2) bond length is 2.07 Å. The Li(2)-F(5) bond length is 2.09 Å. There is one shorter (2.07 Å) and one longer (2.16 Å) Li(2)-F(4) bond length. In the third Li site, Li(3) is bonded to one O(2), one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form distorted LiOF5 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Li(2)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with two equivalent Fe(4)O2F4 octahedra, and edges with three equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Li(3)-O(2) bond length is 2.11 Å. The Li(3)-F(1) bond length is 2.01 Å. The Li(3)-F(2) bond length is 2.06 Å. The Li(3)-F(3) bond length is 2.01 Å. The Li(3)-F(5) bond length is 2.49 Å. The Li(3)-F(6) bond length is 2.09 Å. In the fourth Li site, Li(4) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted LiOF5 octahedra that share  a cornercorner with one Fe(1)O2F4 octahedra,  a cornercorner with one Fe(3)O2F4 octahedra,  a cornercorner with one Fe(4)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Fe(2)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Li(4)-O(1) bond length is 2.11 Å. The Li(4)-F(1) bond length is 2.06 Å. The Li(4)-F(2) bond length is 2.02 Å. The Li(4)-F(4) bond length is 2.01 Å. The Li(4)-F(5) bond length is 2.08 Å. The Li(4)-F(6) bond length is 2.48 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form FeO2F4 octahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra, corners with two equivalent Li(4)OF5 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with four equivalent Li(2)O2F4 octahedra, and edges with four equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. Both Fe(1)-O(1) bond lengths are 2.01 Å. Both Fe(1)-F(2) bond lengths are 2.29 Å. Both Fe(1)-F(4) bond lengths are 2.21 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1), one F(2), one F(4), one F(5), and one F(6) atom to form FeO2F4 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra,  a cornercorner with one Li(3)OF5 octahedra, corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(4)OF5 octahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, edges with two equivalent Li(4)OF5 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There is one shorter (2.03 Å) and one longer (2.16 Å) Fe(2)-O(1) bond length. The Fe(2)-F(2) bond length is 2.17 Å. The Fe(2)-F(4) bond length is 2.20 Å. The Fe(2)-F(5) bond length is 2.09 Å. The Fe(2)-F(6) bond length is 2.18 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra, corners with two equivalent Li(4)OF5 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with four equivalent Li(1)O2F4 octahedra, and edges with four equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. Both Fe(3)-O(2) bond lengths are 2.01 Å. Both Fe(3)-F(1) bond lengths are 2.29 Å. Both Fe(3)-F(3) bond lengths are 2.21 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), one F(1), one F(3), one F(5), and one F(6) atom to form FeO2F4 octahedra that share  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one Li(4)OF5 octahedra, corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(3)OF5 octahedra,  an edgeedge with one Li(4)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, and edges with three equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There is one shorter (2.03 Å) and one longer (2.16 Å) Fe(4)-O(2) bond length. The Fe(4)-F(1) bond length is 2.17 Å. The Fe(4)-F(3) bond length is 2.21 Å. The Fe(4)-F(5) bond length is 2.18 Å. The Fe(4)-F(6) bond length is 2.10 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Li(2), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(4)Li3Fe2 square pyramid,  a cornercorner with one F(5)Li3Fe2 square pyramid,  a cornercorner with one F(6)Li3Fe2 square pyramid, edges with two equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(6)Li3Fe2 square pyramid, edges with two equivalent F(5)Li3Fe2 square pyramids, edges with three equivalent F(2)Li3Fe2 square pyramids, and edges with four equivalent F(4)Li3Fe2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), one Fe(3), and two equivalent Fe(4) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(3)Li3Fe2 square pyramid,  a cornercorner with one F(5)Li3Fe2 square pyramid,  a cornercorner with one F(6)Li3Fe2 square pyramid, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(5)Li3Fe2 square pyramid, edges with two equivalent F(6)Li3Fe2 square pyramids, edges with three equivalent F(1)Li3Fe2 square pyramids, and edges with four equivalent F(3)Li3Fe2 square pyramids. The corner-sharing octahedra are not tilted. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(4), one Fe(3), and one Fe(4) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(4)Li3Fe2 square pyramid,  a cornercorner with one F(5)Li3Fe2 square pyramid, corners with two equivalent F(3)Li3Fe2 square pyramids, corners with two equivalent F(6)Li3Fe2 square pyramids, edges with three equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(2)Li3Fe2 square pyramid,  an edgeedge with one F(5)Li3Fe2 square pyramid,  an edgeedge with one F(6)Li3Fe2 square pyramid, and edges with two equivalent F(3)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 6-14°. In the second F site, F(2) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(3)Li3Fe2 square pyramid,  a cornercorner with one F(6)Li3Fe2 square pyramid, corners with two equivalent F(4)Li3Fe2 square pyramids, corners with two equivalent F(5)Li3Fe2 square pyramids, edges with three equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(1)Li3Fe2 square pyramid,  an edgeedge with one F(5)Li3Fe2 square pyramid,  an edgeedge with one F(6)Li3Fe2 square pyramid, and edges with two equivalent F(4)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 6-15°. In the third F site, F(3) is bonded to one Li(3), two equivalent Li(1), one Fe(3), and one Fe(4) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(2)Li3Fe2 square pyramid,  a cornercorner with one F(3)Li3Fe2 square pyramid, corners with two equivalent F(1)Li3Fe2 square pyramids, corners with two equivalent F(5)Li3Fe2 square pyramids, corners with two equivalent F(6)Li3Fe2 square pyramids, edges with four equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(3)Li3Fe2 square pyramid,  an edgeedge with one F(6)Li3Fe2 square pyramid, and edges with two equivalent F(1)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fourth F site, F(4) is bonded to one Li(4), two equivalent Li(2), one Fe(1), and one Fe(2) atom to form FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid,  a cornercorner with one F(4)Li3Fe2 square pyramid, corners with two equivalent F(2)Li3Fe2 square pyramids, corners with two equivalent F(5)Li3Fe2 square pyramids, corners with two equivalent F(6)Li3Fe2 square pyramids, edges with four equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(4)Li3Fe2 square pyramid,  an edgeedge with one F(5)Li3Fe2 square pyramid, and edges with two equivalent F(2)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the fifth F site, F(5) is bonded to one Li(2), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form distorted FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(1)Li3Fe2 square pyramid, corners with two equivalent F(2)Li3Fe2 square pyramids, corners with two equivalent F(3)Li3Fe2 square pyramids, corners with two equivalent F(4)Li3Fe2 square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(1)Li3Fe3 octahedra,  an edgeedge with one F(1)Li3Fe2 square pyramid,  an edgeedge with one F(2)Li3Fe2 square pyramid,  an edgeedge with one F(4)Li3Fe2 square pyramid, and edges with two equivalent F(6)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 10-11°. In the sixth F site, F(6) is bonded to one Li(1), one Li(3), one Li(4), one Fe(2), and one Fe(4) atom to form distorted FLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one F(2)Li3Fe2 square pyramid, corners with two equivalent F(1)Li3Fe2 square pyramids, corners with two equivalent F(3)Li3Fe2 square pyramids, corners with two equivalent F(4)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li3Fe3 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one F(1)Li3Fe2 square pyramid,  an edgeedge with one F(2)Li3Fe2 square pyramid,  an edgeedge with one F(3)Li3Fe2 square pyramid, and edges with two equivalent F(5)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°.