The structure described by Li5Fe5O12 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(15), one O(23), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Li site, Li(2) is bonded to one O(13), one O(15), one O(23), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(18), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(18), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(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,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the fifth Li site, Li(5) is bonded to one O(12), one O(16), one O(2), one O(21), one O(22), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(18), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(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,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the seventh Li site, Li(7) is bonded to one O(12), one O(14), one O(17), one O(21), one O(22), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(10)O6 octahedra, and edges with three equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the eighth Li site, Li(8) is bonded to one O(14), one O(17), one O(19), one O(20), one O(24), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the ninth Li site, Li(9) is bonded to one O(14), one O(17), one O(19), one O(20), one O(24), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the tenth Li site, Li(10) is bonded to one O(12), one O(16), one O(2), one O(21), one O(22), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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 9-11°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(18), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth Fe site, Fe(5) is bonded to one O(13), one O(15), one O(18), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the sixth Fe site, Fe(6) is bonded to one O(19), one O(20), one O(23), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(7)O6 octahedra, and edges with three equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the seventh Fe site, Fe(7) is bonded to one O(19), one O(20), one O(23), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(6)O6 octahedra, and edges with three equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the eighth Fe site, Fe(8) is bonded to one O(19), one O(20), one O(23), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(6)O6 octahedra, and edges with three equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(14), one O(17), one O(21), one O(22), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and edges with three equivalent Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(14), one O(17), one O(21), one O(22), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and edges with three equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(6), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(18)Li3Fe2 square pyramids, corners with two equivalent O(6)Li3Fe2 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(10)Li2Fe3 square pyramids, and edges with two equivalent O(11)Li2Fe3 square pyramids. In the second O site, O(2) is bonded to one Li(10), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(12)Li3Fe2 square pyramids, corners with two equivalent O(22)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid, edges with two equivalent O(16)Li2Fe3 square pyramids, and edges with two equivalent O(3)Li2Fe3 square pyramids. In the third O site, O(3) is bonded to one Li(10), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid, corners with two equivalent O(21)Li3Fe2 square pyramids, corners with two equivalent O(22)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid, edges with two equivalent O(16)Li2Fe3 square pyramids, and edges with two equivalent O(2)Li2Fe3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(23)Li2Fe3 square pyramids, corners with two equivalent O(9)Li2Fe3 square pyramids,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(13)Li3Fe2 square pyramids, and edges with two equivalent O(15)Li3Fe2 square pyramids. In the fifth O site, O(5) is bonded to one Li(8), one Li(9), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(14)Li3Fe2 square pyramids, corners with two equivalent O(24)Li3Fe2 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid, edges with two equivalent O(19)Li2Fe3 square pyramids, and edges with two equivalent O(20)Li2Fe3 square pyramids. In the sixth O site, O(6) is bonded to one Li(3), one Li(4), one Li(6), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(1)Li2Fe3 square pyramids, corners with two equivalent O(11)Li2Fe3 square pyramids,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(18)Li3Fe2 square pyramids, and edges with two equivalent O(7)Li3Fe2 square pyramids. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Li(6), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid, corners with two equivalent O(10)Li2Fe3 square pyramids, corners with two equivalent O(11)Li2Fe3 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(18)Li3Fe2 square pyramids, and edges with two equivalent O(6)Li3Fe2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(13)Li3Fe2 square pyramids, corners with two equivalent O(15)Li3Fe2 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(23)Li2Fe3 square pyramids, and edges with two equivalent O(9)Li2Fe3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid, corners with two equivalent O(13)Li3Fe2 square pyramids, corners with two equivalent O(4)Li3Fe2 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid, edges with two equivalent O(23)Li2Fe3 square pyramids, and edges with two equivalent O(8)Li2Fe3 square pyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(6), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(18)Li3Fe2 square pyramids, corners with two equivalent O(7)Li3Fe2 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with two equivalent O(11)Li2Fe3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(4), one Li(6), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(6)Li3Fe2 square pyramids, corners with two equivalent O(7)Li3Fe2 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with two equivalent O(10)Li2Fe3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(10), one Li(5), one Li(7), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(16)Li2Fe3 square pyramids, corners with two equivalent O(2)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(21)Li3Fe2 square pyramids, and edges with two equivalent O(22)Li3Fe2 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Li(3), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(8)Li2Fe3 square pyramids, corners with two equivalent O(9)Li2Fe3 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(15)Li3Fe2 square pyramids, and edges with two equivalent O(4)Li3Fe2 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(20)Li2Fe3 square pyramids, corners with two equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(17)Li3Fe2 square pyramids, and edges with two equivalent O(24)Li3Fe2 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(2), one Li(3), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(23)Li2Fe3 square pyramids, corners with two equivalent O(8)Li2Fe3 square pyramids,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(13)Li3Fe2 square pyramids, and edges with two equivalent O(4)Li3Fe2 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(10), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(12)Li3Fe2 square pyramids, corners with two equivalent O(21)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(2)Li2Fe3 square pyramids, and edges with two equivalent O(3)Li2Fe3 square pyramids. In the seventeenth O site, O(17) is bonded to one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(19)Li2Fe3 square pyramids, corners with two equivalent O(20)Li2Fe3 square pyramids,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(14)Li3Fe2 square pyramids, and edges with two equivalent O(24)Li3Fe2 square pyramids. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(4), one Li(6), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(1)Li2Fe3 square pyramids, corners with two equivalent O(10)Li2Fe3 square pyramids,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(6)Li3Fe2 square pyramids, and edges with two equivalent O(7)Li3Fe2 square pyramids. In the nineteenth O site, O(19) is bonded to one Li(8), one Li(9), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(17)Li3Fe2 square pyramids, corners with two equivalent O(24)Li3Fe2 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid, edges with two equivalent O(20)Li2Fe3 square pyramids, and edges with two equivalent O(5)Li2Fe3 square pyramids. In the twentieth O site, O(20) is bonded to one Li(8), one Li(9), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(14)Li3Fe2 square pyramids, corners with two equivalent O(17)Li3Fe2 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(19)Li2Fe3 square pyramids, and edges with two equivalent O(5)Li2Fe3 square pyramids. In the twenty-first O site, O(21) is bonded to one Li(10), one Li(5), one Li(7), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(16)Li2Fe3 square pyramids, corners with two equivalent O(3)Li2Fe3 square pyramids,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(12)Li3Fe2 square pyramids, and edges with two equivalent O(22)Li3Fe2 square pyramids. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(5), one Li(7), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(2)Li2Fe3 square pyramids, corners with two equivalent O(3)Li2Fe3 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(12)Li3Fe2 square pyramids, and edges with two equivalent O(21)Li3Fe2 square pyramids. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(2), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(15)Li3Fe2 square pyramids, corners with two equivalent O(4)Li3Fe2 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid, edges with two equivalent O(8)Li2Fe3 square pyramids, and edges with two equivalent O(9)Li2Fe3 square pyramids. In the twenty-fourth O site, O(24) is bonded to one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid, corners with two equivalent O(19)Li2Fe3 square pyramids, corners with two equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(14)Li3Fe2 square pyramids, and edges with two equivalent O(17)Li3Fe2 square pyramids. is represented by the CIF file [CIF]
data_Li5Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.100
_cell_length_c   19.711
_cell_angle_alpha   92.351
_cell_angle_beta   93.267
_cell_angle_gamma   119.518
_symmetry_Int_Tables_number   1
_cell_volume   443.727
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.009  0.512  0.502  1.0
  Li  Li1  1  0.351  0.164  0.502  1.0
  Li  Li2  1  0.378  0.874  0.625  1.0
  Li  Li3  1  0.095  0.906  0.747  1.0
  Li  Li4  1  0.503  0.016  0.002  1.0
  Li  Li5  1  0.746  0.244  0.748  1.0
  Li  Li6  1  0.873  0.376  0.125  1.0
  Li  Li7  1  0.587  0.401  0.248  1.0
  Li  Li8  1  0.240  0.738  0.248  1.0
  Li  Li9  1  0.155  0.344  0.003  1.0
  Fe  Fe10  1  0.461  0.289  0.875  1.0
  Fe  Fe11  1  0.127  0.624  0.875  1.0
  Fe  Fe12  1  0.793  0.959  0.875  1.0
  Fe  Fe13  1  0.709  0.542  0.625  1.0
  Fe  Fe14  1  0.045  0.206  0.625  1.0
  Fe  Fe15  1  0.960  0.792  0.375  1.0
  Fe  Fe16  1  0.628  0.123  0.375  1.0
  Fe  Fe17  1  0.290  0.462  0.375  1.0
  Fe  Fe18  1  0.207  0.046  0.125  1.0
  Fe  Fe19  1  0.554  0.718  0.125  1.0
  O  O20  1  0.796  0.606  0.822  1.0
  O  O21  1  0.457  0.642  0.928  1.0
  O  O22  1  0.812  0.299  0.932  1.0
  O  O23  1  0.341  0.483  0.573  1.0
  O  O24  1  0.298  0.108  0.320  1.0
  O  O25  1  0.412  0.259  0.678  1.0
  O  O26  1  0.017  0.542  0.679  1.0
  O  O27  1  0.975  0.149  0.428  1.0
  O  O28  1  0.298  0.809  0.433  1.0
  O  O29  1  0.443  0.950  0.818  1.0
  O  O30  1  0.099  0.268  0.820  1.0
  O  O31  1  0.858  0.011  0.074  1.0
  O  O32  1  0.709  0.236  0.571  1.0
  O  O33  1  0.894  0.747  0.176  1.0
  O  O34  1  0.990  0.842  0.572  1.0
  O  O35  1  0.155  0.979  0.930  1.0
  O  O36  1  0.509  0.041  0.180  1.0
  O  O37  1  0.769  0.909  0.677  1.0
  O  O38  1  0.941  0.455  0.317  1.0
  O  O39  1  0.601  0.778  0.322  1.0
  O  O40  1  0.233  0.722  0.071  1.0
  O  O41  1  0.470  0.326  0.070  1.0
  O  O42  1  0.645  0.453  0.429  1.0
  O  O43  1  0.270  0.407  0.179  1.0
[/CIF]
.
The structure described by Li5Fe5O12 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(15), one O(23), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Li site, Li(2) is bonded to one O(13), one O(15), one O(23), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(18), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(18), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(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,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the fifth Li site, Li(5) is bonded to one O(12), one O(16), one O(2), one O(21), one O(22), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(18), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(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,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the seventh Li site, Li(7) is bonded to one O(12), one O(14), one O(17), one O(21), one O(22), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(10)O6 octahedra, and edges with three equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the eighth Li site, Li(8) is bonded to one O(14), one O(17), one O(19), one O(20), one O(24), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the ninth Li site, Li(9) is bonded to one O(14), one O(17), one O(19), one O(20), one O(24), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the tenth Li site, Li(10) is bonded to one O(12), one O(16), one O(2), one O(21), one O(22), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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 9-11°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(18), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth Fe site, Fe(5) is bonded to one O(13), one O(15), one O(18), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the sixth Fe site, Fe(6) is bonded to one O(19), one O(20), one O(23), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(7)O6 octahedra, and edges with three equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the seventh Fe site, Fe(7) is bonded to one O(19), one O(20), one O(23), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(6)O6 octahedra, and edges with three equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the eighth Fe site, Fe(8) is bonded to one O(19), one O(20), one O(23), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Fe(6)O6 octahedra, and edges with three equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(14), one O(17), one O(21), one O(22), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and edges with three equivalent Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(14), one O(17), one O(21), one O(22), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and edges with three equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(6), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(18)Li3Fe2 square pyramids, corners with two equivalent O(6)Li3Fe2 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(10)Li2Fe3 square pyramids, and edges with two equivalent O(11)Li2Fe3 square pyramids. In the second O site, O(2) is bonded to one Li(10), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(12)Li3Fe2 square pyramids, corners with two equivalent O(22)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid, edges with two equivalent O(16)Li2Fe3 square pyramids, and edges with two equivalent O(3)Li2Fe3 square pyramids. In the third O site, O(3) is bonded to one Li(10), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid, corners with two equivalent O(21)Li3Fe2 square pyramids, corners with two equivalent O(22)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid, edges with two equivalent O(16)Li2Fe3 square pyramids, and edges with two equivalent O(2)Li2Fe3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(23)Li2Fe3 square pyramids, corners with two equivalent O(9)Li2Fe3 square pyramids,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(13)Li3Fe2 square pyramids, and edges with two equivalent O(15)Li3Fe2 square pyramids. In the fifth O site, O(5) is bonded to one Li(8), one Li(9), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(14)Li3Fe2 square pyramids, corners with two equivalent O(24)Li3Fe2 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid, edges with two equivalent O(19)Li2Fe3 square pyramids, and edges with two equivalent O(20)Li2Fe3 square pyramids. In the sixth O site, O(6) is bonded to one Li(3), one Li(4), one Li(6), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(1)Li2Fe3 square pyramids, corners with two equivalent O(11)Li2Fe3 square pyramids,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(18)Li3Fe2 square pyramids, and edges with two equivalent O(7)Li3Fe2 square pyramids. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Li(6), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid, corners with two equivalent O(10)Li2Fe3 square pyramids, corners with two equivalent O(11)Li2Fe3 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(18)Li3Fe2 square pyramids, and edges with two equivalent O(6)Li3Fe2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(13)Li3Fe2 square pyramids, corners with two equivalent O(15)Li3Fe2 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(23)Li2Fe3 square pyramids, and edges with two equivalent O(9)Li2Fe3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid, corners with two equivalent O(13)Li3Fe2 square pyramids, corners with two equivalent O(4)Li3Fe2 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid, edges with two equivalent O(23)Li2Fe3 square pyramids, and edges with two equivalent O(8)Li2Fe3 square pyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(6), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(18)Li3Fe2 square pyramids, corners with two equivalent O(7)Li3Fe2 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with two equivalent O(11)Li2Fe3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(4), one Li(6), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(6)Li3Fe2 square pyramids, corners with two equivalent O(7)Li3Fe2 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid, edges with two equivalent O(1)Li2Fe3 square pyramids, and edges with two equivalent O(10)Li2Fe3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(10), one Li(5), one Li(7), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(16)Li2Fe3 square pyramids, corners with two equivalent O(2)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(21)Li3Fe2 square pyramids, and edges with two equivalent O(22)Li3Fe2 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Li(3), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(8)Li2Fe3 square pyramids, corners with two equivalent O(9)Li2Fe3 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(15)Li3Fe2 square pyramids, and edges with two equivalent O(4)Li3Fe2 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(20)Li2Fe3 square pyramids, corners with two equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(17)Li3Fe2 square pyramids, and edges with two equivalent O(24)Li3Fe2 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(2), one Li(3), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(18)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(23)Li2Fe3 square pyramids, corners with two equivalent O(8)Li2Fe3 square pyramids,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li3Fe2 square pyramid,  an edgeedge with one O(6)Li3Fe2 square pyramid,  an edgeedge with one O(7)Li3Fe2 square pyramid, edges with two equivalent O(13)Li3Fe2 square pyramids, and edges with two equivalent O(4)Li3Fe2 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(10), one Li(5), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li2Fe3 square pyramid,  a cornercorner with one O(11)Li2Fe3 square pyramid,  a cornercorner with one O(2)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li2Fe3 square pyramid, corners with two equivalent O(12)Li3Fe2 square pyramids, corners with two equivalent O(21)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li2Fe3 square pyramid,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(2)Li2Fe3 square pyramids, and edges with two equivalent O(3)Li2Fe3 square pyramids. In the seventeenth O site, O(17) is bonded to one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(19)Li2Fe3 square pyramids, corners with two equivalent O(20)Li2Fe3 square pyramids,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(14)Li3Fe2 square pyramids, and edges with two equivalent O(24)Li3Fe2 square pyramids. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(4), one Li(6), one Fe(4), and one Fe(5) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe2 square pyramid,  a cornercorner with one O(15)Li3Fe2 square pyramid,  a cornercorner with one O(4)Li3Fe2 square pyramid,  a cornercorner with one O(6)Li3Fe2 square pyramid,  a cornercorner with one O(7)Li3Fe2 square pyramid, corners with two equivalent O(1)Li2Fe3 square pyramids, corners with two equivalent O(10)Li2Fe3 square pyramids,  an edgeedge with one O(11)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid,  an edgeedge with one O(15)Li3Fe2 square pyramid,  an edgeedge with one O(4)Li3Fe2 square pyramid, edges with two equivalent O(6)Li3Fe2 square pyramids, and edges with two equivalent O(7)Li3Fe2 square pyramids. In the nineteenth O site, O(19) is bonded to one Li(8), one Li(9), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(17)Li3Fe2 square pyramids, corners with two equivalent O(24)Li3Fe2 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid, edges with two equivalent O(20)Li2Fe3 square pyramids, and edges with two equivalent O(5)Li2Fe3 square pyramids. In the twentieth O site, O(20) is bonded to one Li(8), one Li(9), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(23)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(14)Li3Fe2 square pyramids, corners with two equivalent O(17)Li3Fe2 square pyramids,  an edgeedge with one O(23)Li2Fe3 square pyramid,  an edgeedge with one O(8)Li2Fe3 square pyramid,  an edgeedge with one O(9)Li2Fe3 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(19)Li2Fe3 square pyramids, and edges with two equivalent O(5)Li2Fe3 square pyramids. In the twenty-first O site, O(21) is bonded to one Li(10), one Li(5), one Li(7), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(16)Li2Fe3 square pyramids, corners with two equivalent O(3)Li2Fe3 square pyramids,  an edgeedge with one O(2)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(12)Li3Fe2 square pyramids, and edges with two equivalent O(22)Li3Fe2 square pyramids. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(5), one Li(7), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid, corners with two equivalent O(2)Li2Fe3 square pyramids, corners with two equivalent O(3)Li2Fe3 square pyramids,  an edgeedge with one O(16)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li3Fe2 square pyramid,  an edgeedge with one O(17)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, edges with two equivalent O(12)Li3Fe2 square pyramids, and edges with two equivalent O(21)Li3Fe2 square pyramids. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(2), one Fe(6), one Fe(7), and one Fe(8) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li2Fe3 square pyramid,  a cornercorner with one O(20)Li2Fe3 square pyramid,  a cornercorner with one O(5)Li2Fe3 square pyramid,  a cornercorner with one O(8)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li2Fe3 square pyramid, corners with two equivalent O(15)Li3Fe2 square pyramids, corners with two equivalent O(4)Li3Fe2 square pyramids,  an edgeedge with one O(19)Li2Fe3 square pyramid,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li2Fe3 square pyramid,  an edgeedge with one O(13)Li3Fe2 square pyramid, edges with two equivalent O(8)Li2Fe3 square pyramids, and edges with two equivalent O(9)Li2Fe3 square pyramids. In the twenty-fourth O site, O(24) is bonded to one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(12)Li3Fe2 square pyramid,  a cornercorner with one O(14)Li3Fe2 square pyramid,  a cornercorner with one O(17)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid, corners with two equivalent O(19)Li2Fe3 square pyramids, corners with two equivalent O(5)Li2Fe3 square pyramids,  an edgeedge with one O(20)Li2Fe3 square pyramid,  an edgeedge with one O(12)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, edges with two equivalent O(14)Li3Fe2 square pyramids, and edges with two equivalent O(17)Li3Fe2 square pyramids. is represented by the CIF file [CIF]
data_Li5Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.100
_cell_length_c   19.711
_cell_angle_alpha   92.351
_cell_angle_beta   93.267
_cell_angle_gamma   119.518
_symmetry_Int_Tables_number   1
_cell_volume   443.727
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.009  0.512  0.502  1.0
  Li  Li1  1  0.351  0.164  0.502  1.0
  Li  Li2  1  0.378  0.874  0.625  1.0
  Li  Li3  1  0.095  0.906  0.747  1.0
  Li  Li4  1  0.503  0.016  0.002  1.0
  Li  Li5  1  0.746  0.244  0.748  1.0
  Li  Li6  1  0.873  0.376  0.125  1.0
  Li  Li7  1  0.587  0.401  0.248  1.0
  Li  Li8  1  0.240  0.738  0.248  1.0
  Li  Li9  1  0.155  0.344  0.003  1.0
  Fe  Fe10  1  0.461  0.289  0.875  1.0
  Fe  Fe11  1  0.127  0.624  0.875  1.0
  Fe  Fe12  1  0.793  0.959  0.875  1.0
  Fe  Fe13  1  0.709  0.542  0.625  1.0
  Fe  Fe14  1  0.045  0.206  0.625  1.0
  Fe  Fe15  1  0.960  0.792  0.375  1.0
  Fe  Fe16  1  0.628  0.123  0.375  1.0
  Fe  Fe17  1  0.290  0.462  0.375  1.0
  Fe  Fe18  1  0.207  0.046  0.125  1.0
  Fe  Fe19  1  0.554  0.718  0.125  1.0
  O  O20  1  0.796  0.606  0.822  1.0
  O  O21  1  0.457  0.642  0.928  1.0
  O  O22  1  0.812  0.299  0.932  1.0
  O  O23  1  0.341  0.483  0.573  1.0
  O  O24  1  0.298  0.108  0.320  1.0
  O  O25  1  0.412  0.259  0.678  1.0
  O  O26  1  0.017  0.542  0.679  1.0
  O  O27  1  0.975  0.149  0.428  1.0
  O  O28  1  0.298  0.809  0.433  1.0
  O  O29  1  0.443  0.950  0.818  1.0
  O  O30  1  0.099  0.268  0.820  1.0
  O  O31  1  0.858  0.011  0.074  1.0
  O  O32  1  0.709  0.236  0.571  1.0
  O  O33  1  0.894  0.747  0.176  1.0
  O  O34  1  0.990  0.842  0.572  1.0
  O  O35  1  0.155  0.979  0.930  1.0
  O  O36  1  0.509  0.041  0.180  1.0
  O  O37  1  0.769  0.909  0.677  1.0
  O  O38  1  0.941  0.455  0.317  1.0
  O  O39  1  0.601  0.778  0.322  1.0
  O  O40  1  0.233  0.722  0.071  1.0
  O  O41  1  0.470  0.326  0.070  1.0
  O  O42  1  0.645  0.453  0.429  1.0
  O  O43  1  0.270  0.407  0.179  1.0
[/CIF]
.