Li2TiFe3O8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(3), one Fe(4), and one Fe(5) atom to form distorted corner-sharing OLiFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Fe(1), one Fe(2), and one Fe(6) atom to form distorted corner-sharing OLiFe3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Fe(1), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(2), and one Fe(6) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Ti(1), one Fe(2), and one Fe(6) atom to form distorted corner-sharing OLiTiFe2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one Fe(3), and one Fe(5) atom to form distorted corner-sharing OLiTiFe2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(4), and one Fe(6) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one Fe(1), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(2), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Fe(1), and one Fe(5) atom.
Li2TiFe3O8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. The Li(1)-O(1) bond length is 2.03 Å. The Li(1)-O(6) bond length is 2.01 Å. The Li(1)-O(8) bond length is 2.07 Å. The Li(1)-O(9) bond length is 1.96 Å. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(2)-O(10) bond length is 1.97 Å. The Li(2)-O(2) bond length is 2.03 Å. The Li(2)-O(5) bond length is 2.01 Å. The Li(2)-O(7) bond length is 2.06 Å. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Li(3)-O(11) bond length is 1.97 Å. The Li(3)-O(14) bond length is 2.06 Å. The Li(3)-O(16) bond length is 2.01 Å. The Li(3)-O(3) bond length is 2.03 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. The Li(4)-O(12) bond length is 1.97 Å. The Li(4)-O(13) bond length is 2.07 Å. The Li(4)-O(15) bond length is 2.01 Å. The Li(4)-O(4) bond length is 2.03 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The Ti(1)-O(11) bond length is 1.97 Å. The Ti(1)-O(13) bond length is 2.00 Å. The Ti(1)-O(15) bond length is 1.99 Å. The Ti(1)-O(5) bond length is 1.93 Å. The Ti(1)-O(7) bond length is 2.08 Å. The Ti(1)-O(9) bond length is 1.98 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The Ti(2)-O(10) bond length is 1.97 Å. The Ti(2)-O(12) bond length is 1.98 Å. The Ti(2)-O(14) bond length is 1.99 Å. The Ti(2)-O(16) bond length is 1.98 Å. The Ti(2)-O(6) bond length is 1.94 Å. The Ti(2)-O(8) bond length is 2.09 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The Fe(1)-O(14) bond length is 1.96 Å. The Fe(1)-O(16) bond length is 2.11 Å. The Fe(1)-O(2) bond length is 1.92 Å. The Fe(1)-O(4) bond length is 1.91 Å. The Fe(1)-O(6) bond length is 2.13 Å. The Fe(1)-O(8) bond length is 1.93 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The Fe(2)-O(10) bond length is 2.04 Å. The Fe(2)-O(11) bond length is 2.03 Å. The Fe(2)-O(15) bond length is 2.02 Å. The Fe(2)-O(2) bond length is 2.05 Å. The Fe(2)-O(3) bond length is 2.07 Å. The Fe(2)-O(6) bond length is 2.04 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The Fe(3)-O(1) bond length is 2.05 Å. The Fe(3)-O(12) bond length is 2.03 Å. The Fe(3)-O(14) bond length is 2.09 Å. The Fe(3)-O(4) bond length is 2.04 Å. The Fe(3)-O(7) bond length is 2.05 Å. The Fe(3)-O(9) bond length is 2.01 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The Fe(4)-O(1) bond length is 1.92 Å. The Fe(4)-O(13) bond length is 1.95 Å. The Fe(4)-O(15) bond length is 2.10 Å. The Fe(4)-O(3) bond length is 1.92 Å. The Fe(4)-O(5) bond length is 2.16 Å. The Fe(4)-O(7) bond length is 1.93 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The Fe(5)-O(1) bond length is 2.06 Å. The Fe(5)-O(12) bond length is 2.03 Å. The Fe(5)-O(16) bond length is 2.02 Å. The Fe(5)-O(4) bond length is 2.08 Å. The Fe(5)-O(5) bond length is 2.05 Å. The Fe(5)-O(9) bond length is 2.04 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The Fe(6)-O(10) bond length is 2.02 Å. The Fe(6)-O(11) bond length is 2.03 Å. The Fe(6)-O(13) bond length is 2.09 Å. The Fe(6)-O(2) bond length is 2.04 Å. The Fe(6)-O(3) bond length is 2.04 Å. The Fe(6)-O(8) bond length is 2.05 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(3), one Fe(4), and one Fe(5) atom to form distorted corner-sharing OLiFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Fe(1), one Fe(2), and one Fe(6) atom to form distorted corner-sharing OLiFe3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Fe(1), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(2), and one Fe(6) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Ti(1), one Fe(2), and one Fe(6) atom to form distorted corner-sharing OLiTiFe2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one Fe(3), and one Fe(5) atom to form distorted corner-sharing OLiTiFe2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(4), and one Fe(6) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one Fe(1), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(2), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Fe(1), and one Fe(5) atom.