Li2TiFe2O5 is Caswellsilverite-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(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2TiFe3 octahedra that share corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(10)Li3Ti2Fe octahedra, corners with two equivalent O(7)Li3TiFe2 octahedra,  an edgeedge with one O(3)Li3Ti2Fe octahedra,  an edgeedge with one O(9)Li3TiFe2 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiTiFe4 octahedra that share corners with two equivalent O(3)Li3Ti2Fe octahedra, corners with two equivalent O(8)Li3TiFe2 octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(10)Li3Ti2Fe octahedra,  an edgeedge with one O(6)Li3TiFe2 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(9)Li3TiFe2 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(10)Li3Ti2Fe octahedra, corners with two equivalent O(2)LiTiFe4 octahedra,  an edgeedge with one O(1)Li2TiFe3 octahedra,  an edgeedge with one O(4)LiTiFe4 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, and edges with two equivalent O(9)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(4) is bonded to one Li(4), one Ti(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiTiFe4 octahedra that share corners with two equivalent O(10)Li3Ti2Fe octahedra, corners with two equivalent O(6)Li3TiFe2 octahedra, corners with two equivalent O(2)LiTiFe4 octahedra,  an edgeedge with one O(3)Li3Ti2Fe octahedra,  an edgeedge with one O(8)Li3TiFe2 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(9)Li3TiFe2 octahedra, and edges with two equivalent O(2)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2TiFe3 octahedra that share corners with two equivalent O(1)Li2TiFe3 octahedra, corners with two equivalent O(3)Li3Ti2Fe octahedra, corners with two equivalent O(9)Li3TiFe2 octahedra,  an edgeedge with one O(10)Li3Ti2Fe octahedra,  an edgeedge with one O(7)Li3TiFe2 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ti(2), one Fe(3), and one Fe(4) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(8)Li3TiFe2 octahedra, corners with two equivalent O(9)Li3TiFe2 octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(7)Li3TiFe2 octahedra,  an edgeedge with one O(2)LiTiFe4 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, and edges with two equivalent O(8)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(1)Li2TiFe3 octahedra, corners with two equivalent O(8)Li3TiFe2 octahedra, corners with two equivalent O(9)Li3TiFe2 octahedra,  an edgeedge with one O(5)Li2TiFe3 octahedra,  an edgeedge with one O(6)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, edges with two equivalent O(9)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Ti(2), one Fe(3), and one Fe(4) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(6)Li3TiFe2 octahedra, corners with two equivalent O(7)Li3TiFe2 octahedra, corners with two equivalent O(2)LiTiFe4 octahedra,  an edgeedge with one O(9)Li3TiFe2 octahedra,  an edgeedge with one O(4)LiTiFe4 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, and edges with two equivalent O(6)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(6)Li3TiFe2 octahedra, corners with two equivalent O(7)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li2TiFe3 octahedra,  an edgeedge with one O(8)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share corners with two equivalent O(1)Li2TiFe3 octahedra, corners with two equivalent O(3)Li3Ti2Fe octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(5)Li2TiFe3 octahedra,  an edgeedge with one O(2)LiTiFe4 octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, and edges with two equivalent O(9)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°.
Li2TiFe2O5 is Caswellsilverite-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(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Li(1)-O(10) bond length is 2.12 Å. The Li(1)-O(3) bond length is 2.14 Å. The Li(1)-O(6) bond length is 2.10 Å. The Li(1)-O(7) bond length is 2.13 Å. The Li(1)-O(8) bond length is 2.09 Å. The Li(1)-O(9) bond length is 2.14 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. The Li(2)-O(1) bond length is 2.11 Å. The Li(2)-O(10) bond length is 2.06 Å. The Li(2)-O(3) bond length is 2.08 Å. The Li(2)-O(5) bond length is 2.12 Å. The Li(2)-O(6) bond length is 2.30 Å. The Li(2)-O(8) bond length is 2.34 Å. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. The Li(3)-O(10) bond length is 2.11 Å. The Li(3)-O(3) bond length is 2.10 Å. The Li(3)-O(6) bond length is 2.10 Å. The Li(3)-O(7) bond length is 2.13 Å. The Li(3)-O(8) bond length is 2.13 Å. The Li(3)-O(9) bond length is 2.18 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The Li(4)-O(1) bond length is 2.21 Å. The Li(4)-O(2) bond length is 2.09 Å. The Li(4)-O(4) bond length is 2.08 Å. The Li(4)-O(5) bond length is 2.22 Å. The Li(4)-O(7) bond length is 2.09 Å. The Li(4)-O(9) bond length is 2.10 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. The Ti(1)-O(10) bond length is 2.03 Å. The Ti(1)-O(2) bond length is 2.06 Å. The Ti(1)-O(3) bond length is 2.02 Å. The Ti(1)-O(4) bond length is 2.07 Å. The Ti(1)-O(7) bond length is 1.94 Å. The Ti(1)-O(9) bond length is 2.03 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. The Ti(2)-O(1) bond length is 1.98 Å. The Ti(2)-O(10) bond length is 2.14 Å. The Ti(2)-O(3) bond length is 2.11 Å. The Ti(2)-O(5) bond length is 2.06 Å. The Ti(2)-O(6) bond length is 1.90 Å. The Ti(2)-O(8) bond length is 1.93 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Fe(1)-O(1) bond length is 2.28 Å. The Fe(1)-O(2) bond length is 2.16 Å. The Fe(1)-O(4) bond length is 2.15 Å. The Fe(1)-O(5) bond length is 2.19 Å. The Fe(1)-O(7) bond length is 2.18 Å. The Fe(1)-O(9) bond length is 2.10 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Fe(2)-O(10) bond length is 2.11 Å. The Fe(2)-O(2) bond length is 2.16 Å. The Fe(2)-O(3) bond length is 2.13 Å. The Fe(2)-O(4) bond length is 2.14 Å. The Fe(2)-O(7) bond length is 2.26 Å. The Fe(2)-O(9) bond length is 2.25 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Fe(3)-O(1) bond length is 2.07 Å. The Fe(3)-O(2) bond length is 2.27 Å. The Fe(3)-O(4) bond length is 2.27 Å. The Fe(3)-O(5) bond length is 2.09 Å. The Fe(3)-O(6) bond length is 2.17 Å. The Fe(3)-O(8) bond length is 2.14 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. The Fe(4)-O(1) bond length is 2.16 Å. The Fe(4)-O(2) bond length is 2.17 Å. The Fe(4)-O(4) bond length is 2.18 Å. The Fe(4)-O(5) bond length is 2.16 Å. The Fe(4)-O(6) bond length is 2.12 Å. The Fe(4)-O(8) bond length is 2.11 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2TiFe3 octahedra that share corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(10)Li3Ti2Fe octahedra, corners with two equivalent O(7)Li3TiFe2 octahedra,  an edgeedge with one O(3)Li3Ti2Fe octahedra,  an edgeedge with one O(9)Li3TiFe2 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiTiFe4 octahedra that share corners with two equivalent O(3)Li3Ti2Fe octahedra, corners with two equivalent O(8)Li3TiFe2 octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(10)Li3Ti2Fe octahedra,  an edgeedge with one O(6)Li3TiFe2 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(9)Li3TiFe2 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(10)Li3Ti2Fe octahedra, corners with two equivalent O(2)LiTiFe4 octahedra,  an edgeedge with one O(1)Li2TiFe3 octahedra,  an edgeedge with one O(4)LiTiFe4 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, and edges with two equivalent O(9)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(4) is bonded to one Li(4), one Ti(1), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLiTiFe4 octahedra that share corners with two equivalent O(10)Li3Ti2Fe octahedra, corners with two equivalent O(6)Li3TiFe2 octahedra, corners with two equivalent O(2)LiTiFe4 octahedra,  an edgeedge with one O(3)Li3Ti2Fe octahedra,  an edgeedge with one O(8)Li3TiFe2 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(9)Li3TiFe2 octahedra, and edges with two equivalent O(2)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2TiFe3 octahedra that share corners with two equivalent O(1)Li2TiFe3 octahedra, corners with two equivalent O(3)Li3Ti2Fe octahedra, corners with two equivalent O(9)Li3TiFe2 octahedra,  an edgeedge with one O(10)Li3Ti2Fe octahedra,  an edgeedge with one O(7)Li3TiFe2 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ti(2), one Fe(3), and one Fe(4) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(8)Li3TiFe2 octahedra, corners with two equivalent O(9)Li3TiFe2 octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(7)Li3TiFe2 octahedra,  an edgeedge with one O(2)LiTiFe4 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, and edges with two equivalent O(8)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(1)Li2TiFe3 octahedra, corners with two equivalent O(8)Li3TiFe2 octahedra, corners with two equivalent O(9)Li3TiFe2 octahedra,  an edgeedge with one O(5)Li2TiFe3 octahedra,  an edgeedge with one O(6)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, edges with two equivalent O(9)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Ti(2), one Fe(3), and one Fe(4) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(6)Li3TiFe2 octahedra, corners with two equivalent O(7)Li3TiFe2 octahedra, corners with two equivalent O(2)LiTiFe4 octahedra,  an edgeedge with one O(9)Li3TiFe2 octahedra,  an edgeedge with one O(4)LiTiFe4 octahedra, edges with two equivalent O(1)Li2TiFe3 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, and edges with two equivalent O(6)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(6)Li3TiFe2 octahedra, corners with two equivalent O(7)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li2TiFe3 octahedra,  an edgeedge with one O(8)Li3TiFe2 octahedra, edges with two equivalent O(10)Li3Ti2Fe octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(2)LiTiFe4 octahedra, and edges with two equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share corners with two equivalent O(1)Li2TiFe3 octahedra, corners with two equivalent O(3)Li3Ti2Fe octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(5)Li2TiFe3 octahedra,  an edgeedge with one O(2)LiTiFe4 octahedra, edges with two equivalent O(3)Li3Ti2Fe octahedra, edges with two equivalent O(6)Li3TiFe2 octahedra, edges with two equivalent O(7)Li3TiFe2 octahedra, edges with two equivalent O(8)Li3TiFe2 octahedra, and edges with two equivalent O(9)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°.