The compound described by Li6Fe5O12 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(18), one O(4), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Li site, Li(2) is bonded to one O(17), one O(21), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(12), one O(15), one O(2), and one O(22) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Li(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(14), one O(24), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(13), one O(2), one O(23), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the sixth Li site, Li(6) is bonded to one O(19), one O(20), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the seventh Li site, Li(7) is bonded to one O(16), one O(18), one O(19), one O(20), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)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(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the eighth Li site, Li(8) is bonded to one O(17), one O(19), one O(20), one O(21), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)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 Li(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the ninth Li site, Li(9) is bonded to one O(10), one O(11), one O(20), one O(21), one O(24), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(11)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,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the tenth Li site, Li(10) is bonded to one O(12), one O(13), one O(15), one O(2), one O(22), and one O(23) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the eleventh Li site, Li(11) is bonded to one O(11), one O(13), one O(14), one O(23), one O(24), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the twelfth Li site, Li(12) is bonded to one O(12), one O(16), one O(22), one O(23), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(17), one O(18), one O(2), one O(3), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Fe site, Fe(2) is bonded to one O(1), one O(14), one O(15), one O(19), one O(4), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Fe site, Fe(3) is bonded to one O(13), one O(15), one O(18), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(14), one O(17), one O(19), one O(3), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(11)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,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth Fe site, Fe(5) is bonded to one O(13), one O(14), one O(17), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(15), one O(18), one O(19), one O(2), and one O(4) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(21), one O(23), one O(24), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(12), one O(16), one O(20), one O(22), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(12), one O(16), one O(21), one O(23), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(20), one O(22), one O(24), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid, and  an edgeedge with one O(10)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-9°. In the second O site, O(2) is bonded to one Li(10), one Li(3), one Li(5), one Fe(1), one Fe(3), and one Fe(6) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(13)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, and edges with two equivalent O(15)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(11), one Li(4), one Li(5), one Fe(1), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(13)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, and edges with two equivalent O(14)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(6), one Li(7), one Fe(2), one Fe(3), and one Fe(6) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(19)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid, and edges with two equivalent O(18)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-14°. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Li(8), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(19)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid, and edges with two equivalent O(17)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(6), one Li(8), one Li(9), one Fe(10), and one Fe(7) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(20)Li4Fe2 octahedra,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(21)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li2Fe3 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(12), one Li(6), one Li(7), one Fe(10), and one Fe(8) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(20)Li4Fe2 octahedra,  an edgeedge with one O(18)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(16)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 2-14°. In the ninth O site, O(9) is bonded to one Li(1), one Li(12), one Li(2), one Fe(7), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(16)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,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid, and  an edgeedge with one O(21)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Li(9), one Fe(10), and one Fe(8) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(16)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,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, and  an edgeedge with one O(24)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the eleventh O site, O(11) is bonded to one Li(11), one Li(4), one Li(5), one Li(9), one Fe(7), and one Fe(9) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(23)Li4Fe2 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(24)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(12), one Li(3), one Li(5), one Fe(8), and one Fe(9) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(23)Li4Fe2 octahedra,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(22)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 4-8°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(11), one Li(5), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li2Fe3 square pyramid, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the fourteenth O site, O(14) is bonded to one Li(11), one Li(4), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid, corners with two equivalent O(24)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid, and  an edgeedge with one O(17)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(3), one Fe(2), one Fe(3), and one Fe(6) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid, corners with two equivalent O(22)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid, and  an edgeedge with one O(18)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-9°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(12), one Li(7), one Fe(8), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(18)Li2Fe3 square pyramids,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(22)Li3Fe2 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 5-13°. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(8), one Fe(1), one Fe(4), and one Fe(5) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(21)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 6-10°. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(7), one Fe(1), one Fe(3), and one Fe(6) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(16)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(15)Li2Fe3 square pyramid, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-11°. In the nineteenth O site, O(19) is bonded to one Li(6), one Li(7), one Li(8), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li2Fe3 square pyramid, and  an edgeedge with one O(18)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the twentieth O site, O(20) is bonded to one Li(6), one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(8) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, and  an edgeedge with one O(24)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 2-8°. In the twenty-first O site, O(21) is bonded to one Li(2), one Li(8), one Li(9), one Fe(7), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(17)Li2Fe3 square pyramids,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(24)Li3Fe2 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-6°. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(12), one Li(3), one Fe(10), and one Fe(8) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(15)Li2Fe3 square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(12)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 square pyramid, and  an edgeedge with one O(16)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 2-9°. In the twenty-third O site, O(23) is bonded to one Li(10), one Li(11), one Li(12), one Li(5), one Fe(7), and one Fe(9) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra, edges with two equivalent O(11)Li4Fe2 octahedra, edges with two equivalent O(12)Li4Fe2 octahedra,  an edgeedge with one O(16)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-10°. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(4), one Li(9), one Fe(10), and one Fe(7) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(14)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(11)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 square pyramid, and  an edgeedge with one O(21)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-9°. is represented by the CIF card [CIF]
data_Li6Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   8.835
_cell_length_c   9.906
_cell_angle_alpha   90.710
_cell_angle_beta   100.030
_cell_angle_gamma   89.593
_symmetry_Int_Tables_number   1
_cell_volume   441.752
_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  0.241  0.741  0.002  1.0
  Li  Li1  1  0.258  0.420  0.000  1.0
  Li  Li2  1  0.245  0.914  0.493  1.0
  Li  Li3  1  0.255  0.246  0.495  1.0
  Li  Li4  1  0.251  0.590  0.495  1.0
  Li  Li5  1  0.250  0.087  0.001  1.0
  Li  Li6  1  0.747  0.898  0.009  1.0
  Li  Li7  1  0.752  0.258  0.005  1.0
  Li  Li8  1  0.502  0.246  0.254  1.0
  Li  Li9  1  0.750  0.760  0.499  1.0
  Li  Li10  1  0.749  0.401  0.497  1.0
  Li  Li11  1  0.998  0.747  0.246  1.0
  Fe  Fe12  1  0.994  0.588  0.749  1.0
  Fe  Fe13  1  0.506  0.085  0.750  1.0
  Fe  Fe14  1  0.500  0.751  0.756  1.0
  Fe  Fe15  1  0.999  0.250  0.746  1.0
  Fe  Fe16  1  0.498  0.419  0.753  1.0
  Fe  Fe17  1  0.997  0.919  0.746  1.0
  Fe  Fe18  1  0.009  0.415  0.250  1.0
  Fe  Fe19  1  0.497  0.916  0.252  1.0
  Fe  Fe20  1  0.512  0.581  0.253  1.0
  Fe  Fe21  1  0.991  0.081  0.246  1.0
  O  O22  1  0.133  0.095  0.642  1.0
  O  O23  1  0.123  0.751  0.631  1.0
  O  O24  1  0.122  0.413  0.636  1.0
  O  O25  1  0.371  0.921  0.865  1.0
  O  O26  1  0.377  0.254  0.869  1.0
  O  O27  1  0.107  0.238  0.136  1.0
  O  O28  1  0.356  0.585  0.861  1.0
  O  O29  1  0.132  0.932  0.135  1.0
  O  O30  1  0.166  0.566  0.144  1.0
  O  O31  1  0.340  0.066  0.356  1.0
  O  O32  1  0.347  0.422  0.366  1.0
  O  O33  1  0.399  0.747  0.365  1.0
  O  O34  1  0.625  0.582  0.640  1.0
  O  O35  1  0.623  0.256  0.638  1.0
  O  O36  1  0.621  0.913  0.639  1.0
  O  O37  1  0.594  0.763  0.141  1.0
  O  O38  1  0.885  0.405  0.857  1.0
  O  O39  1  0.878  0.757  0.862  1.0
  O  O40  1  0.880  0.091  0.860  1.0
  O  O41  1  0.649  0.075  0.138  1.0
  O  O42  1  0.652  0.425  0.146  1.0
  O  O43  1  0.869  0.931  0.354  1.0
  O  O44  1  0.849  0.574  0.365  1.0
  O  O45  1  0.902  0.250  0.356  1.0
[/CIF]
.
The compound described by Li6Fe5O12 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(18), one O(4), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Li site, Li(2) is bonded to one O(17), one O(21), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(12), one O(15), one O(2), and one O(22) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Li(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(14), one O(24), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(13), one O(2), one O(23), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the sixth Li site, Li(6) is bonded to one O(19), one O(20), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the seventh Li site, Li(7) is bonded to one O(16), one O(18), one O(19), one O(20), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)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(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the eighth Li site, Li(8) is bonded to one O(17), one O(19), one O(20), one O(21), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)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 Li(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the ninth Li site, Li(9) is bonded to one O(10), one O(11), one O(20), one O(21), one O(24), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(11)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,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the tenth Li site, Li(10) is bonded to one O(12), one O(13), one O(15), one O(2), one O(22), and one O(23) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the eleventh Li site, Li(11) is bonded to one O(11), one O(13), one O(14), one O(23), one O(24), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(12)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(5)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the twelfth Li site, Li(12) is bonded to one O(12), one O(16), one O(22), one O(23), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(17), one O(18), one O(2), one O(3), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Fe site, Fe(2) is bonded to one O(1), one O(14), one O(15), one O(19), one O(4), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Fe site, Fe(3) is bonded to one O(13), one O(15), one O(18), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(14), one O(17), one O(19), one O(3), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(11)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,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth Fe site, Fe(5) is bonded to one O(13), one O(14), one O(17), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(15), one O(18), one O(19), one O(2), and one O(4) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(21), one O(23), one O(24), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(12), one O(16), one O(20), one O(22), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(12), one O(16), one O(21), one O(23), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(20), one O(22), one O(24), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid, and  an edgeedge with one O(10)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-9°. In the second O site, O(2) is bonded to one Li(10), one Li(3), one Li(5), one Fe(1), one Fe(3), and one Fe(6) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(13)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, and edges with two equivalent O(15)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(11), one Li(4), one Li(5), one Fe(1), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(13)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, and edges with two equivalent O(14)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(6), one Li(7), one Fe(2), one Fe(3), and one Fe(6) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(19)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid, and edges with two equivalent O(18)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 2-14°. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Li(8), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(19)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid, and edges with two equivalent O(17)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(6), one Li(8), one Li(9), one Fe(10), and one Fe(7) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(20)Li4Fe2 octahedra,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(21)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li2Fe3 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(12), one Li(6), one Li(7), one Fe(10), and one Fe(8) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(20)Li4Fe2 octahedra,  an edgeedge with one O(18)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(16)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 2-14°. In the ninth O site, O(9) is bonded to one Li(1), one Li(12), one Li(2), one Fe(7), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(16)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,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid, and  an edgeedge with one O(21)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Li(9), one Fe(10), and one Fe(8) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(16)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,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, and  an edgeedge with one O(24)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the eleventh O site, O(11) is bonded to one Li(11), one Li(4), one Li(5), one Li(9), one Fe(7), and one Fe(9) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(23)Li4Fe2 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(24)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(12), one Li(3), one Li(5), one Fe(8), and one Fe(9) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(23)Li4Fe2 octahedra,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid,  an edgeedge with one O(9)Li3Fe2 square pyramid, and edges with two equivalent O(22)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 4-8°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(11), one Li(5), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li2Fe3 square pyramid,  an edgeedge with one O(18)Li2Fe3 square pyramid, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the fourteenth O site, O(14) is bonded to one Li(11), one Li(4), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid, corners with two equivalent O(24)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid, and  an edgeedge with one O(17)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(3), one Fe(2), one Fe(3), and one Fe(6) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(23)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid, corners with two equivalent O(22)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid, and  an edgeedge with one O(18)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 3-9°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(12), one Li(7), one Fe(8), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(18)Li2Fe3 square pyramids,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(12)Li4Fe2 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(22)Li3Fe2 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 5-13°. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(8), one Fe(1), one Fe(4), and one Fe(5) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(21)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(14)Li2Fe3 square pyramid, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 6-10°. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(7), one Fe(1), one Fe(3), and one Fe(6) atom to form OLi2Fe3 square pyramids that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(16)Li3Fe2 square pyramids,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra,  an edgeedge with one O(15)Li2Fe3 square pyramid, and  an edgeedge with one O(7)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 1-11°. In the nineteenth O site, O(19) is bonded to one Li(6), one Li(7), one Li(8), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(20)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe3 square pyramid,  an edgeedge with one O(14)Li2Fe3 square pyramid,  an edgeedge with one O(15)Li2Fe3 square pyramid,  an edgeedge with one O(17)Li2Fe3 square pyramid, and  an edgeedge with one O(18)Li2Fe3 square pyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the twentieth O site, O(20) is bonded to one Li(6), one Li(7), one Li(8), one Li(9), one Fe(10), and one Fe(8) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(17)Li2Fe3 square pyramid,  a cornercorner with one O(18)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(19)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 square pyramid,  an edgeedge with one O(16)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid, and  an edgeedge with one O(24)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 2-8°. In the twenty-first O site, O(21) is bonded to one Li(2), one Li(8), one Li(9), one Fe(7), and one Fe(9) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(19)Li3Fe3 octahedra,  a cornercorner with one O(11)Li4Fe2 octahedra,  a cornercorner with one O(12)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(16)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(17)Li2Fe3 square pyramids,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(11)Li4Fe2 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra, edges with two equivalent O(6)Li4Fe2 octahedra,  an edgeedge with one O(24)Li3Fe2 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-6°. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(12), one Li(3), one Fe(10), and one Fe(8) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(24)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(15)Li2Fe3 square pyramids,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(12)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 square pyramid, and  an edgeedge with one O(16)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 2-9°. In the twenty-third O site, O(23) is bonded to one Li(10), one Li(11), one Li(12), one Li(5), one Fe(7), and one Fe(9) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(14)Li2Fe3 square pyramid,  a cornercorner with one O(15)Li2Fe3 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid,  an edgeedge with one O(13)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra, edges with two equivalent O(11)Li4Fe2 octahedra, edges with two equivalent O(12)Li4Fe2 octahedra,  an edgeedge with one O(16)Li3Fe2 square pyramid,  an edgeedge with one O(21)Li3Fe2 square pyramid,  an edgeedge with one O(22)Li3Fe2 square pyramid,  an edgeedge with one O(24)Li3Fe2 square pyramid, and  an edgeedge with one O(9)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-10°. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(4), one Li(9), one Fe(10), and one Fe(7) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(13)Li3Fe3 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(1)Li2Fe3 square pyramid,  a cornercorner with one O(10)Li3Fe2 square pyramid,  a cornercorner with one O(22)Li3Fe2 square pyramid,  a cornercorner with one O(9)Li3Fe2 square pyramid, corners with two equivalent O(14)Li2Fe3 square pyramids,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(20)Li4Fe2 octahedra,  an edgeedge with one O(23)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with two equivalent O(11)Li4Fe2 octahedra,  an edgeedge with one O(10)Li3Fe2 square pyramid, and  an edgeedge with one O(21)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles range from 4-9°. is represented by the CIF card [CIF]
data_Li6Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   8.835
_cell_length_c   9.906
_cell_angle_alpha   90.710
_cell_angle_beta   100.030
_cell_angle_gamma   89.593
_symmetry_Int_Tables_number   1
_cell_volume   441.752
_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  0.241  0.741  0.002  1.0
  Li  Li1  1  0.258  0.420  0.000  1.0
  Li  Li2  1  0.245  0.914  0.493  1.0
  Li  Li3  1  0.255  0.246  0.495  1.0
  Li  Li4  1  0.251  0.590  0.495  1.0
  Li  Li5  1  0.250  0.087  0.001  1.0
  Li  Li6  1  0.747  0.898  0.009  1.0
  Li  Li7  1  0.752  0.258  0.005  1.0
  Li  Li8  1  0.502  0.246  0.254  1.0
  Li  Li9  1  0.750  0.760  0.499  1.0
  Li  Li10  1  0.749  0.401  0.497  1.0
  Li  Li11  1  0.998  0.747  0.246  1.0
  Fe  Fe12  1  0.994  0.588  0.749  1.0
  Fe  Fe13  1  0.506  0.085  0.750  1.0
  Fe  Fe14  1  0.500  0.751  0.756  1.0
  Fe  Fe15  1  0.999  0.250  0.746  1.0
  Fe  Fe16  1  0.498  0.419  0.753  1.0
  Fe  Fe17  1  0.997  0.919  0.746  1.0
  Fe  Fe18  1  0.009  0.415  0.250  1.0
  Fe  Fe19  1  0.497  0.916  0.252  1.0
  Fe  Fe20  1  0.512  0.581  0.253  1.0
  Fe  Fe21  1  0.991  0.081  0.246  1.0
  O  O22  1  0.133  0.095  0.642  1.0
  O  O23  1  0.123  0.751  0.631  1.0
  O  O24  1  0.122  0.413  0.636  1.0
  O  O25  1  0.371  0.921  0.865  1.0
  O  O26  1  0.377  0.254  0.869  1.0
  O  O27  1  0.107  0.238  0.136  1.0
  O  O28  1  0.356  0.585  0.861  1.0
  O  O29  1  0.132  0.932  0.135  1.0
  O  O30  1  0.166  0.566  0.144  1.0
  O  O31  1  0.340  0.066  0.356  1.0
  O  O32  1  0.347  0.422  0.366  1.0
  O  O33  1  0.399  0.747  0.365  1.0
  O  O34  1  0.625  0.582  0.640  1.0
  O  O35  1  0.623  0.256  0.638  1.0
  O  O36  1  0.621  0.913  0.639  1.0
  O  O37  1  0.594  0.763  0.141  1.0
  O  O38  1  0.885  0.405  0.857  1.0
  O  O39  1  0.878  0.757  0.862  1.0
  O  O40  1  0.880  0.091  0.860  1.0
  O  O41  1  0.649  0.075  0.138  1.0
  O  O42  1  0.652  0.425  0.146  1.0
  O  O43  1  0.869  0.931  0.354  1.0
  O  O44  1  0.849  0.574  0.365  1.0
  O  O45  1  0.902  0.250  0.356  1.0
[/CIF]
.