Li9(FeO4)2 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are eighteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(13), one O(2), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(12), one O(16), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(18)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(15), one O(16), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid, corners with two equivalent Li(15)O4 trigonal pyramids,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(14), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  a cornercorner with one Li(15)O4 trigonal pyramid,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(15)O4 trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(15)O4 trigonal pyramids,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(10), one O(2), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Li(15)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(13), one O(5), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(17)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(18)O4 tetrahedra. In the eleventh Li site, Li(11) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(16), one O(7), and one O(8) atom. In the twelfth Li site, Li(12) is bonded to one O(11), one O(12), one O(13), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Fe(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(12), one O(14), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  a cornercorner with one Li(15)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(15), one O(16), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(10)O4 trigonal pyramid. In the fifteenth Li site, Li(15) is bonded to one O(1), one O(10), one O(14), and one O(2) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the sixteenth Li site, Li(16) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(8), and one O(9) atom. In the seventeenth Li site, Li(17) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(15)O4 trigonal pyramid. In the eighteenth Li site, Li(18) is bonded to one O(11), one O(15), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O4 tetrahedra, and  an edgeedge with one Li(10)O4 trigonal pyramid. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(15), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(15)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(7), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(3), one O(4), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(14), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(17)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(15), one Li(17), one Li(4), one Li(6), one Li(7), and one Fe(1) atom to form distorted OLi5Fe octahedra that share  a cornercorner with one O(13)Li4Fe trigonal bipyramid,  a cornercorner with one O(8)Li4Fe trigonal bipyramid, edges with two equivalent O(10)Li5Fe octahedra, and  an edgeedge with one O(5)Li4Fe square pyramid. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(15), one Li(4), one Li(6), one Li(8), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(12), one Li(18), one Li(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(13), one Li(18), one Li(2), one Li(3), one Li(5), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Li(17), one Li(5), one Li(7), one Li(9), and one Fe(3) atom to form distorted OLi4Fe square pyramids that share  a cornercorner with one O(10)Li5Fe octahedra, corners with two equivalent O(6)Li4Fe square pyramids,  a cornercorner with one O(11)Li4Fe trigonal bipyramid, corners with two equivalent O(13)Li4Fe trigonal bipyramids, and  an edgeedge with one O(1)Li5Fe octahedra. The corner-sharing octahedral tilt angles are 47°. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Li(8), one Li(9), and one Fe(4) atom to form distorted OLi4Fe square pyramids that share  a cornercorner with one O(10)Li5Fe octahedra, corners with two equivalent O(5)Li4Fe square pyramids,  a cornercorner with one O(12)Li4Fe trigonal bipyramid,  a cornercorner with one O(13)Li4Fe trigonal bipyramid, and  an edgeedge with one O(13)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 75°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(10), one Li(11), one Li(14), one Li(3), one Li(6), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Li(10), one Li(11), one Li(16), one Li(4), and one Fe(2) atom to form distorted OLi4Fe trigonal bipyramids that share  a cornercorner with one O(1)Li5Fe octahedra,  a cornercorner with one O(11)Li4Fe trigonal bipyramid, and  a cornercorner with one O(12)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 51°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(16), one Li(4), one Li(7), one Li(8), one Li(9), and one Fe(1) atom. In the tenth O site, O(10) is bonded to one Li(14), one Li(15), one Li(6), one Li(7), one Li(8), and one Fe(1) atom to form distorted OLi5Fe octahedra that share  a cornercorner with one O(5)Li4Fe square pyramid,  a cornercorner with one O(6)Li4Fe square pyramid, and edges with two equivalent O(1)Li5Fe octahedra. In the eleventh O site, O(11) is bonded to one Li(10), one Li(12), one Li(13), one Li(18), and one Fe(3) atom to form distorted corner-sharing OLi4Fe trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(11), one Li(12), one Li(13), one Li(2), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OLi4Fe trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(12), one Li(17), one Li(9), and one Fe(4) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(1)Li5Fe octahedra,  a cornercorner with one O(6)Li4Fe square pyramid, corners with two equivalent O(5)Li4Fe square pyramids,  a cornercorner with one O(11)Li4Fe trigonal bipyramid,  an edgeedge with one O(6)Li4Fe square pyramid, and  an edgeedge with one O(12)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Li(13), one Li(15), one Li(17), one Li(5), and one Fe(4) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Li(10), one Li(14), one Li(16), one Li(18), one Li(3), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one Li(11), one Li(14), one Li(16), one Li(2), one Li(3), and one Fe(2) atom.
Li9(FeO4)2 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are eighteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(13), one O(2), and one O(6) atom. The Li(1)-O(13) bond length is 1.96 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(6) bond length is 2.03 Å. In the second Li site, Li(2) is bonded to one O(12), one O(16), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(18)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Li(2)-O(12) bond length is 2.10 Å. The Li(2)-O(16) bond length is 2.05 Å. The Li(2)-O(3) bond length is 1.94 Å. The Li(2)-O(4) bond length is 2.12 Å. In the third Li site, Li(3) is bonded to one O(15), one O(16), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Li(3)-O(15) bond length is 2.05 Å. The Li(3)-O(16) bond length is 2.12 Å. The Li(3)-O(4) bond length is 1.95 Å. The Li(3)-O(7) bond length is 1.92 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid, corners with two equivalent Li(15)O4 trigonal pyramids,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. The Li(4)-O(1) bond length is 2.01 Å. The Li(4)-O(2) bond length is 2.14 Å. The Li(4)-O(8) bond length is 2.03 Å. The Li(4)-O(9) bond length is 1.92 Å. In the fifth Li site, Li(5) is bonded to one O(14), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. The Li(5)-O(14) bond length is 2.01 Å. The Li(5)-O(4) bond length is 2.09 Å. The Li(5)-O(5) bond length is 2.03 Å. The Li(5)-O(6) bond length is 1.97 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  a cornercorner with one Li(15)O4 trigonal pyramid,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(15)O4 trigonal pyramid. The Li(6)-O(1) bond length is 1.91 Å. The Li(6)-O(10) bond length is 2.00 Å. The Li(6)-O(2) bond length is 2.04 Å. The Li(6)-O(7) bond length is 1.95 Å. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(15)O4 trigonal pyramids,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The Li(7)-O(1) bond length is 1.99 Å. The Li(7)-O(10) bond length is 1.96 Å. The Li(7)-O(5) bond length is 1.89 Å. The Li(7)-O(9) bond length is 2.15 Å. In the eighth Li site, Li(8) is bonded to one O(10), one O(2), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Li(15)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The Li(8)-O(10) bond length is 1.96 Å. The Li(8)-O(2) bond length is 2.13 Å. The Li(8)-O(6) bond length is 2.05 Å. The Li(8)-O(9) bond length is 2.04 Å. In the ninth Li site, Li(9) is bonded to one O(13), one O(5), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(17)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. The Li(9)-O(13) bond length is 1.92 Å. The Li(9)-O(5) bond length is 2.00 Å. The Li(9)-O(6) bond length is 2.02 Å. The Li(9)-O(9) bond length is 1.95 Å. In the tenth Li site, Li(10) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(18)O4 tetrahedra. The Li(10)-O(11) bond length is 2.02 Å. The Li(10)-O(15) bond length is 2.38 Å. The Li(10)-O(7) bond length is 2.13 Å. The Li(10)-O(8) bond length is 1.96 Å. In the eleventh Li site, Li(11) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(16), one O(7), and one O(8) atom. The Li(11)-O(12) bond length is 1.92 Å. The Li(11)-O(16) bond length is 2.15 Å. The Li(11)-O(7) bond length is 2.07 Å. The Li(11)-O(8) bond length is 2.10 Å. In the twelfth Li site, Li(12) is bonded to one O(11), one O(12), one O(13), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Fe(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Li(12)-O(11) bond length is 1.94 Å. The Li(12)-O(12) bond length is 1.99 Å. The Li(12)-O(13) bond length is 1.92 Å. The Li(12)-O(3) bond length is 1.94 Å. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(12), one O(14), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  a cornercorner with one Li(15)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Li(13)-O(11) bond length is 1.93 Å. The Li(13)-O(12) bond length is 1.96 Å. The Li(13)-O(14) bond length is 2.08 Å. The Li(13)-O(4) bond length is 1.96 Å. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(15), one O(16), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(10)O4 trigonal pyramid. The Li(14)-O(10) bond length is 1.98 Å. The Li(14)-O(15) bond length is 2.01 Å. The Li(14)-O(16) bond length is 1.93 Å. The Li(14)-O(7) bond length is 1.96 Å. In the fifteenth Li site, Li(15) is bonded to one O(1), one O(10), one O(14), and one O(2) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The Li(15)-O(1) bond length is 2.14 Å. The Li(15)-O(10) bond length is 1.99 Å. The Li(15)-O(14) bond length is 1.97 Å. The Li(15)-O(2) bond length is 2.02 Å. In the sixteenth Li site, Li(16) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(8), and one O(9) atom. The Li(16)-O(15) bond length is 2.06 Å. The Li(16)-O(16) bond length is 2.00 Å. The Li(16)-O(8) bond length is 1.90 Å. The Li(16)-O(9) bond length is 2.29 Å. In the seventeenth Li site, Li(17) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(15)O4 trigonal pyramid. The Li(17)-O(1) bond length is 2.04 Å. The Li(17)-O(13) bond length is 1.97 Å. The Li(17)-O(14) bond length is 2.05 Å. The Li(17)-O(5) bond length is 2.11 Å. In the eighteenth Li site, Li(18) is bonded to one O(11), one O(15), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O4 tetrahedra, and  an edgeedge with one Li(10)O4 trigonal pyramid. The Li(18)-O(11) bond length is 2.02 Å. The Li(18)-O(15) bond length is 1.86 Å. The Li(18)-O(3) bond length is 1.92 Å. The Li(18)-O(4) bond length is 2.15 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(15), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(15)O4 trigonal pyramid. The Fe(1)-O(1) bond length is 1.91 Å. The Fe(1)-O(10) bond length is 1.93 Å. The Fe(1)-O(15) bond length is 1.90 Å. The Fe(1)-O(9) bond length is 1.90 Å. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(7), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The Fe(2)-O(16) bond length is 1.91 Å. The Fe(2)-O(2) bond length is 1.92 Å. The Fe(2)-O(7) bond length is 1.95 Å. The Fe(2)-O(8) bond length is 1.86 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(3), one O(4), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra,  a cornercorner with one Li(10)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Fe(3)-O(11) bond length is 1.87 Å. The Fe(3)-O(3) bond length is 1.80 Å. The Fe(3)-O(4) bond length is 1.93 Å. The Fe(3)-O(5) bond length is 1.86 Å. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(14), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(17)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  a cornercorner with one Li(15)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The Fe(4)-O(12) bond length is 1.81 Å. The Fe(4)-O(13) bond length is 1.85 Å. The Fe(4)-O(14) bond length is 1.85 Å. The Fe(4)-O(6) bond length is 1.82 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(15), one Li(17), one Li(4), one Li(6), one Li(7), and one Fe(1) atom to form distorted OLi5Fe octahedra that share  a cornercorner with one O(13)Li4Fe trigonal bipyramid,  a cornercorner with one O(8)Li4Fe trigonal bipyramid, edges with two equivalent O(10)Li5Fe octahedra, and  an edgeedge with one O(5)Li4Fe square pyramid. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(15), one Li(4), one Li(6), one Li(8), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(12), one Li(18), one Li(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(13), one Li(18), one Li(2), one Li(3), one Li(5), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Li(17), one Li(5), one Li(7), one Li(9), and one Fe(3) atom to form distorted OLi4Fe square pyramids that share  a cornercorner with one O(10)Li5Fe octahedra, corners with two equivalent O(6)Li4Fe square pyramids,  a cornercorner with one O(11)Li4Fe trigonal bipyramid, corners with two equivalent O(13)Li4Fe trigonal bipyramids, and  an edgeedge with one O(1)Li5Fe octahedra. The corner-sharing octahedral tilt angles are 47°. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Li(8), one Li(9), and one Fe(4) atom to form distorted OLi4Fe square pyramids that share  a cornercorner with one O(10)Li5Fe octahedra, corners with two equivalent O(5)Li4Fe square pyramids,  a cornercorner with one O(12)Li4Fe trigonal bipyramid,  a cornercorner with one O(13)Li4Fe trigonal bipyramid, and  an edgeedge with one O(13)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 75°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(10), one Li(11), one Li(14), one Li(3), one Li(6), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Li(10), one Li(11), one Li(16), one Li(4), and one Fe(2) atom to form distorted OLi4Fe trigonal bipyramids that share  a cornercorner with one O(1)Li5Fe octahedra,  a cornercorner with one O(11)Li4Fe trigonal bipyramid, and  a cornercorner with one O(12)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 51°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(16), one Li(4), one Li(7), one Li(8), one Li(9), and one Fe(1) atom. In the tenth O site, O(10) is bonded to one Li(14), one Li(15), one Li(6), one Li(7), one Li(8), and one Fe(1) atom to form distorted OLi5Fe octahedra that share  a cornercorner with one O(5)Li4Fe square pyramid,  a cornercorner with one O(6)Li4Fe square pyramid, and edges with two equivalent O(1)Li5Fe octahedra. In the eleventh O site, O(11) is bonded to one Li(10), one Li(12), one Li(13), one Li(18), and one Fe(3) atom to form distorted corner-sharing OLi4Fe trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(11), one Li(12), one Li(13), one Li(2), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OLi4Fe trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(12), one Li(17), one Li(9), and one Fe(4) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(1)Li5Fe octahedra,  a cornercorner with one O(6)Li4Fe square pyramid, corners with two equivalent O(5)Li4Fe square pyramids,  a cornercorner with one O(11)Li4Fe trigonal bipyramid,  an edgeedge with one O(6)Li4Fe square pyramid, and  an edgeedge with one O(12)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Li(13), one Li(15), one Li(17), one Li(5), and one Fe(4) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Li(10), one Li(14), one Li(16), one Li(18), one Li(3), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one Li(11), one Li(14), one Li(16), one Li(2), one Li(3), and one Fe(2) atom.