Li3TiMn3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share 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 Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms to form TiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with four equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, edges with two equivalent O(4)Li2TiMn2 square pyramids, edges with two equivalent O(5)Li2TiMn2 square pyramids, edges with two equivalent O(6)Li2TiMn2 square pyramids, edges with two equivalent O(7)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(2)Li3Mn3 octahedra, corners with four equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, edges with two equivalent O(4)Li2TiMn2 square pyramids, edges with two equivalent O(5)Li2TiMn2 square pyramids, edges with two equivalent O(6)Li2TiMn2 square pyramids, edges with two equivalent O(7)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Ti(2), one Mn(3), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(4)Li2TiMn2 square pyramids, corners with two equivalent O(6)Li2TiMn2 square pyramids, corners with two equivalent O(8)Li2TiMn2 square pyramids, corners with three equivalent O(3)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(5)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Ti(1), one Mn(2), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(5)Li2TiMn2 square pyramids, corners with two equivalent O(7)Li2TiMn2 square pyramids, corners with three equivalent O(4)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(6)Li2TiMn2 square pyramids, and edges with two equivalent O(7)Li2TiMn2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Ti(2), one Mn(1), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(5)Li2TiMn2 square pyramid, corners with two equivalent O(4)Li2TiMn2 square pyramids, corners with two equivalent O(7)Li2TiMn2 square pyramids, corners with four equivalent O(6)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Ti(1), one Mn(1), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(6)Li2TiMn2 square pyramid, corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(8)Li2TiMn2 square pyramids, corners with four equivalent O(5)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li2TiMn2 square pyramids, and edges with two equivalent O(7)Li2TiMn2 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(1), one Mn(1), and one Mn(2) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(4)Li2TiMn2 square pyramids, corners with two equivalent O(5)Li2TiMn2 square pyramids, corners with two equivalent O(8)Li2TiMn2 square pyramids, corners with three equivalent O(7)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li2TiMn2 square pyramids, and edges with two equivalent O(6)Li2TiMn2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(6)Li2TiMn2 square pyramids, corners with two equivalent O(7)Li2TiMn2 square pyramids, corners with three equivalent O(8)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, and edges with two equivalent O(5)Li2TiMn2 square pyramids.
Li3TiMn3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. The Li(1)-O(1) bond length is 2.18 Å. The Li(1)-O(2) bond length is 2.20 Å. The Li(1)-O(5) bond length is 2.38 Å. The Li(1)-O(6) bond length is 2.38 Å. The Li(1)-O(7) bond length is 2.05 Å. The Li(1)-O(8) bond length is 2.06 Å. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Both Li(2)-O(2) bond lengths are 2.28 Å. Both Li(2)-O(3) bond lengths are 2.13 Å. Both Li(2)-O(8) bond lengths are 2.19 Å. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Both Li(3)-O(1) bond lengths are 2.28 Å. Both Li(3)-O(4) bond lengths are 2.13 Å. Both Li(3)-O(7) bond lengths are 2.19 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. The Li(4)-O(1) bond length is 2.16 Å. The Li(4)-O(2) bond length is 2.16 Å. The Li(4)-O(3) bond length is 2.31 Å. The Li(4)-O(4) bond length is 2.29 Å. The Li(4)-O(5) bond length is 2.15 Å. The Li(4)-O(6) bond length is 2.15 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share 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 Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Ti(1)-O(4) bond lengths are 1.95 Å. Both Ti(1)-O(6) bond lengths are 2.01 Å. Both Ti(1)-O(7) bond lengths are 1.98 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms to form TiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Ti(2)-O(3) bond lengths are 1.95 Å. Both Ti(2)-O(5) bond lengths are 2.00 Å. Both Ti(2)-O(8) bond lengths are 1.98 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(2) bond length is 1.94 Å. The Mn(1)-O(5) bond length is 2.04 Å. The Mn(1)-O(6) bond length is 2.04 Å. The Mn(1)-O(7) bond length is 2.26 Å. The Mn(1)-O(8) bond length is 2.24 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Both Mn(2)-O(2) bond lengths are 1.99 Å. Both Mn(2)-O(4) bond lengths are 2.30 Å. Both Mn(2)-O(7) bond lengths are 1.96 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Both Mn(3)-O(1) bond lengths are 2.00 Å. Both Mn(3)-O(3) bond lengths are 2.30 Å. Both Mn(3)-O(8) bond lengths are 1.96 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. The Mn(4)-O(1) bond length is 2.27 Å. The Mn(4)-O(2) bond length is 2.27 Å. The Mn(4)-O(3) bond length is 1.98 Å. The Mn(4)-O(4) bond length is 1.97 Å. The Mn(4)-O(5) bond length is 1.99 Å. The Mn(4)-O(6) bond length is 1.99 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with four equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, edges with two equivalent O(4)Li2TiMn2 square pyramids, edges with two equivalent O(5)Li2TiMn2 square pyramids, edges with two equivalent O(6)Li2TiMn2 square pyramids, edges with two equivalent O(7)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(2)Li3Mn3 octahedra, corners with four equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, edges with two equivalent O(4)Li2TiMn2 square pyramids, edges with two equivalent O(5)Li2TiMn2 square pyramids, edges with two equivalent O(6)Li2TiMn2 square pyramids, edges with two equivalent O(7)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Ti(2), one Mn(3), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(4)Li2TiMn2 square pyramids, corners with two equivalent O(6)Li2TiMn2 square pyramids, corners with two equivalent O(8)Li2TiMn2 square pyramids, corners with three equivalent O(3)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(5)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Ti(1), one Mn(2), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(5)Li2TiMn2 square pyramids, corners with two equivalent O(7)Li2TiMn2 square pyramids, corners with three equivalent O(4)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(6)Li2TiMn2 square pyramids, and edges with two equivalent O(7)Li2TiMn2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Ti(2), one Mn(1), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(5)Li2TiMn2 square pyramid, corners with two equivalent O(4)Li2TiMn2 square pyramids, corners with two equivalent O(7)Li2TiMn2 square pyramids, corners with four equivalent O(6)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, and edges with two equivalent O(8)Li2TiMn2 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Ti(1), one Mn(1), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(6)Li2TiMn2 square pyramid, corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(8)Li2TiMn2 square pyramids, corners with four equivalent O(5)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li2TiMn2 square pyramids, and edges with two equivalent O(7)Li2TiMn2 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(1), one Mn(1), and one Mn(2) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(4)Li2TiMn2 square pyramids, corners with two equivalent O(5)Li2TiMn2 square pyramids, corners with two equivalent O(8)Li2TiMn2 square pyramids, corners with three equivalent O(7)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li2TiMn2 square pyramids, and edges with two equivalent O(6)Li2TiMn2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(6)Li2TiMn2 square pyramids, corners with two equivalent O(7)Li2TiMn2 square pyramids, corners with three equivalent O(8)Li2TiMn2 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li2TiMn2 square pyramids, and edges with two equivalent O(5)Li2TiMn2 square pyramids.