Li2FeTiO4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(4), one O(9), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-16°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(14), one O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-20°. In the third Li site, Li(3) is bonded to one O(11), one O(15), one O(2), one O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-18°. In the fourth Li site, Li(4) is bonded to one O(12), one O(16), one O(3), one O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(8)O5 square pyramids,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra, and  an edgeedge with one Li(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-19°. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(12), one O(5), one O(9), and two equivalent O(13) atoms. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(9), and two equivalent O(14) atoms to form distorted LiO5 square pyramids 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, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-83°. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(2), and two equivalent O(15) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(8)O5 square pyramid, corners with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-81°. In the eighth Li site, Li(8) is bonded to one O(11), one O(12), one O(3), and two equivalent O(16) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(8)O5 square pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-83°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(14), one O(5), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. In the second Ti site, Ti(2) is bonded to one O(14), one O(15), one O(2), one O(6), and two equivalent O(10) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, edges with two equivalent Li(6)O5 square pyramids, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. In the third Ti site, Ti(3) is bonded to one O(15), one O(16), one O(3), one O(7), and two equivalent O(11) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Li(8)O5 square pyramid,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with two equivalent Li(7)O5 square pyramids, and edges with two equivalent Li(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(16), one O(4), one O(8), and two equivalent O(12) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-10°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(16), one O(7), one O(8), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(8)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Ti(3)O6 octahedra, and edges with two equivalent Li(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-23°. In the second Fe site, Fe(2) is bonded to one O(12), one O(13), one O(5), one O(8), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(8)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the third Fe site, Fe(3) is bonded to one O(14), one O(5), one O(6), one O(9), and two equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-22°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(15), one O(6), one O(7), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(7)O5 square pyramid,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-23°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(6), one Ti(1), and two equivalent Fe(3) atoms to form OLi3TiFe2 octahedra that share  a cornercorner with one O(2)Li3TiFe2 octahedra,  a cornercorner with one O(5)Li3TiFe2 octahedra, corners with two equivalent O(1)Li3TiFe2 octahedra,  an edgeedge with one O(10)Li3Ti2Fe octahedra,  an edgeedge with one O(13)Li3Ti2Fe octahedra, edges with two equivalent O(5)Li3TiFe2 octahedra, edges with three equivalent O(14)Li3Ti2Fe octahedra, edges with three equivalent O(9)Li3Ti2Fe octahedra, and edges with two equivalent O(6)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-16°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(7), one Ti(2), and two equivalent Fe(4) atoms to form OLi3TiFe2 octahedra that share  a cornercorner with one O(1)Li3TiFe2 octahedra,  a cornercorner with one O(3)Li3TiFe2 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(11)Li3Ti2Fe octahedra,  an edgeedge with one O(14)Li3Ti2Fe octahedra, edges with three equivalent O(10)Li3Ti2Fe octahedra, edges with three equivalent O(15)Li3Ti2Fe octahedra, edges with two equivalent O(6)Li2TiFe2 trigonal bipyramids, and edges with two equivalent O(7)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-15°. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Li(8), one Ti(3), and two equivalent Fe(1) atoms to form OLi3TiFe2 octahedra that share  a cornercorner with one O(2)Li3TiFe2 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Ti2Fe octahedra,  an edgeedge with one O(15)Li3Ti2Fe octahedra, edges with three equivalent O(11)Li3Ti2Fe octahedra, edges with three equivalent O(16)Li3Ti2Fe octahedra, edges with two equivalent O(7)Li2TiFe2 trigonal bipyramids, and edges with two equivalent O(8)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-15°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Ti(4), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(1), one Ti(1), one Fe(2), and one Fe(3) atom to form distorted OLi3TiFe2 octahedra that share  a cornercorner with one O(1)Li3TiFe2 octahedra, corners with two equivalent O(5)Li3TiFe2 octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Ti2Fe octahedra,  an edgeedge with one O(14)Li3Ti2Fe octahedra, edges with two equivalent O(1)Li3TiFe2 octahedra, edges with three equivalent O(13)Li3Ti2Fe octahedra, and edges with three equivalent O(9)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles are 16°. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Ti(2), one Fe(3), and one Fe(4) atom to form OLi2TiFe2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra,  a cornercorner with one O(2)Li3TiFe2 octahedra,  a cornercorner with one O(5)Li3TiFe2 octahedra, corners with two equivalent O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid, corners with two equivalent O(6)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(14)Li3Ti2Fe octahedra,  an edgeedge with one O(15)Li3Ti2Fe octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(1)Li3TiFe2 octahedra, and edges with two equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 16-81°. In the seventh O site, O(7) is bonded to two equivalent Li(3), one Ti(3), one Fe(1), and one Fe(4) atom to form OLi2TiFe2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(3)Li3TiFe2 octahedra, corners with two equivalent O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid, corners with two equivalent O(7)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(15)Li3Ti2Fe octahedra,  an edgeedge with one O(16)Li3Ti2Fe octahedra, edges with two equivalent O(11)Li3Ti2Fe octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, and edges with two equivalent O(3)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 16-82°. In the eighth O site, O(8) is bonded to two equivalent Li(4), one Ti(4), one Fe(1), and one Fe(2) atom to form distorted OLi2TiFe2 trigonal bipyramids that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(5)Li3TiFe2 octahedra, corners with two equivalent O(16)Li3Ti2Fe octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid, corners with two equivalent O(8)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(13)Li3Ti2Fe octahedra,  an edgeedge with one O(16)Li3Ti2Fe octahedra, edges with two equivalent O(12)Li3Ti2Fe octahedra, and edges with two equivalent O(3)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 15-83°. In the ninth O site, O(9) is bonded to one Li(1), one Li(5), one Li(6), two equivalent Ti(1), and one Fe(3) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra, corners with two equivalent O(9)Li3Ti2Fe octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid, edges with two equivalent O(13)Li3Ti2Fe octahedra, edges with two equivalent O(14)Li3Ti2Fe octahedra, edges with three equivalent O(1)Li3TiFe2 octahedra, and edges with three equivalent O(5)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the tenth O site, O(10) is bonded to one Li(2), one Li(6), one Li(7), two equivalent Ti(2), and one Fe(4) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(1)Li3TiFe2 octahedra, edges with two equivalent O(14)Li3Ti2Fe octahedra, edges with two equivalent O(15)Li3Ti2Fe octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, and edges with two equivalent O(6)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-21°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(7), one Li(8), two equivalent Ti(3), and one Fe(1) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra, corners with two equivalent O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(2)Li3TiFe2 octahedra, edges with two equivalent O(15)Li3Ti2Fe octahedra, edges with two equivalent O(16)Li3Ti2Fe octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra, and edges with two equivalent O(7)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-21°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one Li(8), two equivalent Ti(4), and one Fe(2) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(3)Li3TiFe2 octahedra,  an edgeedge with one O(5)Li3TiFe2 octahedra, edges with two equivalent O(13)Li3Ti2Fe octahedra, edges with two equivalent O(16)Li3Ti2Fe octahedra, and edges with two equivalent O(8)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-17°. In the thirteenth O site, O(13) is bonded to one Li(1), two equivalent Li(5), one Ti(1), one Ti(4), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(13)Li3Ti2Fe octahedra,  an edgeedge with one O(1)Li3TiFe2 octahedra, edges with two equivalent O(12)Li3Ti2Fe octahedra, edges with two equivalent O(9)Li3Ti2Fe octahedra, edges with three equivalent O(5)Li3TiFe2 octahedra, and  an edgeedge with one O(8)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the fourteenth O site, O(14) is bonded to one Li(2), two equivalent Li(6), one Ti(1), one Ti(2), and one Fe(3) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(14)Li3Ti2Fe octahedra, corners with two equivalent O(6)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(2)Li3TiFe2 octahedra,  an edgeedge with one O(5)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(9)Li3Ti2Fe octahedra, edges with three equivalent O(1)Li3TiFe2 octahedra, and  an edgeedge with one O(6)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-18°. In the fifteenth O site, O(15) is bonded to one Li(3), two equivalent Li(7), one Ti(2), one Ti(3), and one Fe(4) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra, corners with two equivalent O(15)Li3Ti2Fe octahedra, corners with two equivalent O(7)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(3)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(11)Li3Ti2Fe octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(6)Li2TiFe2 trigonal bipyramid, and  an edgeedge with one O(7)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-19°. In the sixteenth O site, O(16) is bonded to one Li(4), two equivalent Li(8), one Ti(3), one Ti(4), and one Fe(1) atom to form OLi3Ti2Fe octahedra that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra, corners with two equivalent O(16)Li3Ti2Fe octahedra, corners with two equivalent O(8)Li2TiFe2 trigonal bipyramids, edges with two equivalent O(11)Li3Ti2Fe octahedra, edges with two equivalent O(12)Li3Ti2Fe octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra,  an edgeedge with one O(7)Li2TiFe2 trigonal bipyramid, and  an edgeedge with one O(8)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-14°.
Li2FeTiO4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(4), one O(9), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-16°. The Li(1)-O(1) bond length is 2.11 Å. The Li(1)-O(13) bond length is 2.21 Å. The Li(1)-O(4) bond length is 2.04 Å. The Li(1)-O(9) bond length is 2.20 Å. There is one shorter (2.10 Å) and one longer (2.19 Å) Li(1)-O(5) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(14), one O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-20°. The Li(2)-O(1) bond length is 2.02 Å. The Li(2)-O(10) bond length is 2.25 Å. The Li(2)-O(14) bond length is 2.21 Å. The Li(2)-O(2) bond length is 2.05 Å. There is one shorter (2.11 Å) and one longer (2.19 Å) Li(2)-O(6) bond length. In the third Li site, Li(3) is bonded to one O(11), one O(15), one O(2), one O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-18°. The Li(3)-O(11) bond length is 2.23 Å. The Li(3)-O(15) bond length is 2.23 Å. The Li(3)-O(2) bond length is 2.03 Å. The Li(3)-O(3) bond length is 2.06 Å. There is one shorter (2.12 Å) and one longer (2.18 Å) Li(3)-O(7) bond length. In the fourth Li site, Li(4) is bonded to one O(12), one O(16), one O(3), one O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(8)O5 square pyramids,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra, and  an edgeedge with one Li(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-19°. The Li(4)-O(12) bond length is 2.26 Å. The Li(4)-O(16) bond length is 2.21 Å. The Li(4)-O(3) bond length is 2.05 Å. The Li(4)-O(4) bond length is 2.08 Å. There is one shorter (2.09 Å) and one longer (2.21 Å) Li(4)-O(8) bond length. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(12), one O(5), one O(9), and two equivalent O(13) atoms. The Li(5)-O(12) bond length is 2.04 Å. The Li(5)-O(5) bond length is 2.38 Å. The Li(5)-O(9) bond length is 2.10 Å. There is one shorter (2.07 Å) and one longer (2.19 Å) Li(5)-O(13) bond length. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(9), and two equivalent O(14) atoms to form distorted LiO5 square pyramids 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, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-83°. The Li(6)-O(1) bond length is 2.18 Å. The Li(6)-O(10) bond length is 2.07 Å. The Li(6)-O(9) bond length is 2.06 Å. There is one shorter (2.10 Å) and one longer (2.20 Å) Li(6)-O(14) bond length. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(2), and two equivalent O(15) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(8)O5 square pyramid, corners with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-81°. The Li(7)-O(10) bond length is 2.04 Å. The Li(7)-O(11) bond length is 2.09 Å. The Li(7)-O(2) bond length is 2.14 Å. There is one shorter (2.10 Å) and one longer (2.21 Å) Li(7)-O(15) bond length. In the eighth Li site, Li(8) is bonded to one O(11), one O(12), one O(3), and two equivalent O(16) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(8)O5 square pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-83°. The Li(8)-O(11) bond length is 2.04 Å. The Li(8)-O(12) bond length is 2.08 Å. The Li(8)-O(3) bond length is 2.23 Å. There is one shorter (2.09 Å) and one longer (2.19 Å) Li(8)-O(16) bond length. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(14), one O(5), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. The Ti(1)-O(1) bond length is 1.94 Å. The Ti(1)-O(13) bond length is 1.91 Å. The Ti(1)-O(14) bond length is 2.18 Å. The Ti(1)-O(5) bond length is 1.98 Å. There is one shorter (1.86 Å) and one longer (2.39 Å) Ti(1)-O(9) bond length. In the second Ti site, Ti(2) is bonded to one O(14), one O(15), one O(2), one O(6), and two equivalent O(10) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, edges with two equivalent Li(6)O5 square pyramids, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. The Ti(2)-O(14) bond length is 1.91 Å. The Ti(2)-O(15) bond length is 2.16 Å. The Ti(2)-O(2) bond length is 1.95 Å. The Ti(2)-O(6) bond length is 1.96 Å. There is one shorter (1.87 Å) and one longer (2.38 Å) Ti(2)-O(10) bond length. In the third Ti site, Ti(3) is bonded to one O(15), one O(16), one O(3), one O(7), and two equivalent O(11) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Li(8)O5 square pyramid,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with two equivalent Li(7)O5 square pyramids, and edges with two equivalent Li(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-10°. The Ti(3)-O(15) bond length is 1.90 Å. The Ti(3)-O(16) bond length is 2.17 Å. The Ti(3)-O(3) bond length is 1.93 Å. The Ti(3)-O(7) bond length is 1.97 Å. There is one shorter (1.87 Å) and one longer (2.39 Å) Ti(3)-O(11) bond length. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(16), one O(4), one O(8), and two equivalent O(12) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-10°. The Ti(4)-O(13) bond length is 2.26 Å. The Ti(4)-O(16) bond length is 1.90 Å. The Ti(4)-O(4) bond length is 1.94 Å. The Ti(4)-O(8) bond length is 1.92 Å. There is one shorter (1.86 Å) and one longer (2.40 Å) Ti(4)-O(12) bond length. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(16), one O(7), one O(8), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(8)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Ti(3)O6 octahedra, and edges with two equivalent Li(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-23°. The Fe(1)-O(11) bond length is 2.18 Å. The Fe(1)-O(16) bond length is 2.29 Å. The Fe(1)-O(7) bond length is 2.04 Å. The Fe(1)-O(8) bond length is 2.08 Å. There is one shorter (2.12 Å) and one longer (2.14 Å) Fe(1)-O(3) bond length. In the second Fe site, Fe(2) is bonded to one O(12), one O(13), one O(5), one O(8), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(8)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. The Fe(2)-O(12) bond length is 2.24 Å. The Fe(2)-O(13) bond length is 2.19 Å. The Fe(2)-O(5) bond length is 2.13 Å. The Fe(2)-O(8) bond length is 2.10 Å. There is one shorter (2.09 Å) and one longer (2.20 Å) Fe(2)-O(4) bond length. In the third Fe site, Fe(3) is bonded to one O(14), one O(5), one O(6), one O(9), and two equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-22°. The Fe(3)-O(14) bond length is 2.29 Å. The Fe(3)-O(5) bond length is 2.04 Å. The Fe(3)-O(6) bond length is 2.07 Å. The Fe(3)-O(9) bond length is 2.20 Å. There is one shorter (2.12 Å) and one longer (2.15 Å) Fe(3)-O(1) bond length. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(15), one O(6), one O(7), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(7)O5 square pyramid,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-23°. The Fe(4)-O(10) bond length is 2.18 Å. The Fe(4)-O(15) bond length is 2.30 Å. The Fe(4)-O(6) bond length is 2.05 Å. The Fe(4)-O(7) bond length is 2.06 Å. There is one shorter (2.12 Å) and one longer (2.15 Å) Fe(4)-O(2) bond length. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(6), one Ti(1), and two equivalent Fe(3) atoms to form OLi3TiFe2 octahedra that share  a cornercorner with one O(2)Li3TiFe2 octahedra,  a cornercorner with one O(5)Li3TiFe2 octahedra, corners with two equivalent O(1)Li3TiFe2 octahedra,  an edgeedge with one O(10)Li3Ti2Fe octahedra,  an edgeedge with one O(13)Li3Ti2Fe octahedra, edges with two equivalent O(5)Li3TiFe2 octahedra, edges with three equivalent O(14)Li3Ti2Fe octahedra, edges with three equivalent O(9)Li3Ti2Fe octahedra, and edges with two equivalent O(6)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-16°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(7), one Ti(2), and two equivalent Fe(4) atoms to form OLi3TiFe2 octahedra that share  a cornercorner with one O(1)Li3TiFe2 octahedra,  a cornercorner with one O(3)Li3TiFe2 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(11)Li3Ti2Fe octahedra,  an edgeedge with one O(14)Li3Ti2Fe octahedra, edges with three equivalent O(10)Li3Ti2Fe octahedra, edges with three equivalent O(15)Li3Ti2Fe octahedra, edges with two equivalent O(6)Li2TiFe2 trigonal bipyramids, and edges with two equivalent O(7)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-15°. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Li(8), one Ti(3), and two equivalent Fe(1) atoms to form OLi3TiFe2 octahedra that share  a cornercorner with one O(2)Li3TiFe2 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Ti2Fe octahedra,  an edgeedge with one O(15)Li3Ti2Fe octahedra, edges with three equivalent O(11)Li3Ti2Fe octahedra, edges with three equivalent O(16)Li3Ti2Fe octahedra, edges with two equivalent O(7)Li2TiFe2 trigonal bipyramids, and edges with two equivalent O(8)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-15°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), one Ti(4), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(1), one Ti(1), one Fe(2), and one Fe(3) atom to form distorted OLi3TiFe2 octahedra that share  a cornercorner with one O(1)Li3TiFe2 octahedra, corners with two equivalent O(5)Li3TiFe2 octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(12)Li3Ti2Fe octahedra,  an edgeedge with one O(14)Li3Ti2Fe octahedra, edges with two equivalent O(1)Li3TiFe2 octahedra, edges with three equivalent O(13)Li3Ti2Fe octahedra, and edges with three equivalent O(9)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles are 16°. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Ti(2), one Fe(3), and one Fe(4) atom to form OLi2TiFe2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra,  a cornercorner with one O(2)Li3TiFe2 octahedra,  a cornercorner with one O(5)Li3TiFe2 octahedra, corners with two equivalent O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid, corners with two equivalent O(6)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(14)Li3Ti2Fe octahedra,  an edgeedge with one O(15)Li3Ti2Fe octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(1)Li3TiFe2 octahedra, and edges with two equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 16-81°. In the seventh O site, O(7) is bonded to two equivalent Li(3), one Ti(3), one Fe(1), and one Fe(4) atom to form OLi2TiFe2 trigonal bipyramids that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(3)Li3TiFe2 octahedra, corners with two equivalent O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid, corners with two equivalent O(7)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(15)Li3Ti2Fe octahedra,  an edgeedge with one O(16)Li3Ti2Fe octahedra, edges with two equivalent O(11)Li3Ti2Fe octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, and edges with two equivalent O(3)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 16-82°. In the eighth O site, O(8) is bonded to two equivalent Li(4), one Ti(4), one Fe(1), and one Fe(2) atom to form distorted OLi2TiFe2 trigonal bipyramids that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(5)Li3TiFe2 octahedra, corners with two equivalent O(16)Li3Ti2Fe octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid, corners with two equivalent O(8)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(13)Li3Ti2Fe octahedra,  an edgeedge with one O(16)Li3Ti2Fe octahedra, edges with two equivalent O(12)Li3Ti2Fe octahedra, and edges with two equivalent O(3)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 15-83°. In the ninth O site, O(9) is bonded to one Li(1), one Li(5), one Li(6), two equivalent Ti(1), and one Fe(3) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra, corners with two equivalent O(9)Li3Ti2Fe octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid, edges with two equivalent O(13)Li3Ti2Fe octahedra, edges with two equivalent O(14)Li3Ti2Fe octahedra, edges with three equivalent O(1)Li3TiFe2 octahedra, and edges with three equivalent O(5)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the tenth O site, O(10) is bonded to one Li(2), one Li(6), one Li(7), two equivalent Ti(2), and one Fe(4) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(6)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(1)Li3TiFe2 octahedra, edges with two equivalent O(14)Li3Ti2Fe octahedra, edges with two equivalent O(15)Li3Ti2Fe octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, and edges with two equivalent O(6)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-21°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(7), one Li(8), two equivalent Ti(3), and one Fe(1) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra, corners with two equivalent O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(7)Li2TiFe2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(2)Li3TiFe2 octahedra, edges with two equivalent O(15)Li3Ti2Fe octahedra, edges with two equivalent O(16)Li3Ti2Fe octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra, and edges with two equivalent O(7)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-21°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one Li(8), two equivalent Ti(4), and one Fe(2) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(8)Li2TiFe2 trigonal bipyramid,  an edgeedge with one O(3)Li3TiFe2 octahedra,  an edgeedge with one O(5)Li3TiFe2 octahedra, edges with two equivalent O(13)Li3Ti2Fe octahedra, edges with two equivalent O(16)Li3Ti2Fe octahedra, and edges with two equivalent O(8)Li2TiFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-17°. In the thirteenth O site, O(13) is bonded to one Li(1), two equivalent Li(5), one Ti(1), one Ti(4), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(13)Li3Ti2Fe octahedra,  an edgeedge with one O(1)Li3TiFe2 octahedra, edges with two equivalent O(12)Li3Ti2Fe octahedra, edges with two equivalent O(9)Li3Ti2Fe octahedra, edges with three equivalent O(5)Li3TiFe2 octahedra, and  an edgeedge with one O(8)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the fourteenth O site, O(14) is bonded to one Li(2), two equivalent Li(6), one Ti(1), one Ti(2), and one Fe(3) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra,  a cornercorner with one O(9)Li3Ti2Fe octahedra, corners with two equivalent O(14)Li3Ti2Fe octahedra, corners with two equivalent O(6)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(2)Li3TiFe2 octahedra,  an edgeedge with one O(5)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(9)Li3Ti2Fe octahedra, edges with three equivalent O(1)Li3TiFe2 octahedra, and  an edgeedge with one O(6)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-18°. In the fifteenth O site, O(15) is bonded to one Li(3), two equivalent Li(7), one Ti(2), one Ti(3), and one Fe(4) atom to form distorted OLi3Ti2Fe octahedra that share  a cornercorner with one O(10)Li3Ti2Fe octahedra,  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(14)Li3Ti2Fe octahedra,  a cornercorner with one O(16)Li3Ti2Fe octahedra, corners with two equivalent O(15)Li3Ti2Fe octahedra, corners with two equivalent O(7)Li2TiFe2 trigonal bipyramids,  an edgeedge with one O(3)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(11)Li3Ti2Fe octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(6)Li2TiFe2 trigonal bipyramid, and  an edgeedge with one O(7)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-19°. In the sixteenth O site, O(16) is bonded to one Li(4), two equivalent Li(8), one Ti(3), one Ti(4), and one Fe(1) atom to form OLi3Ti2Fe octahedra that share  a cornercorner with one O(11)Li3Ti2Fe octahedra,  a cornercorner with one O(12)Li3Ti2Fe octahedra,  a cornercorner with one O(13)Li3Ti2Fe octahedra,  a cornercorner with one O(15)Li3Ti2Fe octahedra, corners with two equivalent O(16)Li3Ti2Fe octahedra, corners with two equivalent O(8)Li2TiFe2 trigonal bipyramids, edges with two equivalent O(11)Li3Ti2Fe octahedra, edges with two equivalent O(12)Li3Ti2Fe octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra,  an edgeedge with one O(7)Li2TiFe2 trigonal bipyramid, and  an edgeedge with one O(8)Li2TiFe2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-14°.