Li3TiMn4O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Ti(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, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Ti(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(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third Li site, Li(3) 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 three equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. Ti(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 TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with six equivalent Li(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 Mn(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with six 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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)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, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)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, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the seventh Mn site, Mn(7) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. 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 Ti(1), one Mn(2), and one Mn(4) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(2)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li2TiMn3 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li2TiMn3 octahedra, and edges with three equivalent O(8)Li2TiMn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Mn(3), and one Mn(5) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(2)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li2TiMn3 octahedra, and edges with three equivalent O(7)Li2TiMn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with three equivalent O(5)Li2TiMn3 octahedra, edges with three equivalent O(7)Li2TiMn3 octahedra, and edges with three equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(2), one Mn(4), and one Mn(7) atom to form OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(5)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra, edges with three equivalent O(6)Li2TiMn3 octahedra, edges with three equivalent O(8)Li2TiMn3 octahedra, and edges with three equivalent O(1)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ti(1), one Mn(1), one Mn(5), and one Mn(6) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(5)Li2TiMn3 octahedra, corners with three equivalent O(6)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(7)Li2TiMn3 octahedra, and edges with three equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ti(1), one Mn(1), one Mn(4), and one Mn(7) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(5)Li2TiMn3 octahedra, corners with three equivalent O(6)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(7)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(8)Li2TiMn3 octahedra, and edges with three equivalent O(1)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Ti(1), one Mn(1), one Mn(3), and one Mn(6) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(7)Li2TiMn3 octahedra, corners with three equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li2TiMn3 octahedra, and edges with three equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Ti(1), one Mn(1), one Mn(2), and one Mn(7) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(7)Li2TiMn3 octahedra, corners with three equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li2TiMn3 octahedra, and edges with three equivalent O(1)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°.
Li3TiMn4O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Ti(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, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. Both Li(1)-O(1) bond lengths are 2.30 Å. Both Li(1)-O(6) bond lengths are 2.35 Å. Both Li(1)-O(8) bond lengths are 2.32 Å. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Ti(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(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. Both Li(2)-O(2) bond lengths are 2.30 Å. Both Li(2)-O(5) bond lengths are 2.40 Å. Both Li(2)-O(7) bond lengths are 2.28 Å. In the third Li site, Li(3) 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 three equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. The Li(3)-O(1) bond length is 2.30 Å. The Li(3)-O(2) bond length is 2.15 Å. The Li(3)-O(3) bond length is 2.14 Å. The Li(3)-O(4) bond length is 2.17 Å. The Li(3)-O(5) bond length is 2.16 Å. The Li(3)-O(6) bond length is 2.10 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(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. The Li(4)-O(1) bond length is 2.14 Å. The Li(4)-O(2) bond length is 2.31 Å. The Li(4)-O(3) bond length is 2.55 Å. The Li(4)-O(4) bond length is 2.14 Å. The Li(4)-O(7) bond length is 2.08 Å. The Li(4)-O(8) bond length is 2.08 Å. Ti(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 TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Ti(1)-O(1) bond length is 1.90 Å. The Ti(1)-O(2) bond length is 2.13 Å. The Ti(1)-O(5) bond length is 1.96 Å. The Ti(1)-O(6) bond length is 2.16 Å. The Ti(1)-O(7) bond length is 2.00 Å. The Ti(1)-O(8) bond length is 2.02 Å. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Mn(1)-O(3) bond length is 2.17 Å. The Mn(1)-O(4) bond length is 2.23 Å. The Mn(1)-O(5) bond length is 2.18 Å. The Mn(1)-O(6) bond length is 2.21 Å. The Mn(1)-O(7) bond length is 2.17 Å. The Mn(1)-O(8) bond length is 2.20 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Both Mn(2)-O(1) bond lengths are 2.18 Å. Both Mn(2)-O(4) bond lengths are 2.18 Å. Both Mn(2)-O(8) bond lengths are 2.22 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with six equivalent Li(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 Mn(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. Both Mn(3)-O(2) bond lengths are 1.99 Å. Both Mn(3)-O(3) bond lengths are 1.99 Å. Both Mn(3)-O(7) bond lengths are 2.27 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with six 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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. Both Mn(4)-O(1) bond lengths are 2.22 Å. Both Mn(4)-O(4) bond lengths are 2.16 Å. Both Mn(4)-O(6) bond lengths are 2.17 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)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, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. Both Mn(5)-O(2) bond lengths are 2.22 Å. Both Mn(5)-O(3) bond lengths are 2.16 Å. Both Mn(5)-O(5) bond lengths are 2.21 Å. In the sixth Mn site, Mn(6) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)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, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. Both Mn(6)-O(3) bond lengths are 2.19 Å. Both Mn(6)-O(5) bond lengths are 2.17 Å. Both Mn(6)-O(7) bond lengths are 2.25 Å. In the seventh Mn site, Mn(7) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. Both Mn(7)-O(4) bond lengths are 2.05 Å. Both Mn(7)-O(6) bond lengths are 2.06 Å. Both Mn(7)-O(8) bond lengths are 2.26 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 Ti(1), one Mn(2), and one Mn(4) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(2)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li2TiMn3 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li2TiMn3 octahedra, and edges with three equivalent O(8)Li2TiMn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Mn(3), and one Mn(5) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(2)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li2TiMn3 octahedra, and edges with three equivalent O(7)Li2TiMn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with three equivalent O(5)Li2TiMn3 octahedra, edges with three equivalent O(7)Li2TiMn3 octahedra, and edges with three equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(2), one Mn(4), and one Mn(7) atom to form OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(5)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra, edges with three equivalent O(6)Li2TiMn3 octahedra, edges with three equivalent O(8)Li2TiMn3 octahedra, and edges with three equivalent O(1)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ti(1), one Mn(1), one Mn(5), and one Mn(6) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(5)Li2TiMn3 octahedra, corners with three equivalent O(6)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(7)Li2TiMn3 octahedra, and edges with three equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ti(1), one Mn(1), one Mn(4), and one Mn(7) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(5)Li2TiMn3 octahedra, corners with three equivalent O(6)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(7)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(8)Li2TiMn3 octahedra, and edges with three equivalent O(1)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Ti(1), one Mn(1), one Mn(3), and one Mn(6) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(7)Li2TiMn3 octahedra, corners with three equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li2TiMn3 octahedra, and edges with three equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Ti(1), one Mn(1), one Mn(2), and one Mn(7) atom to form OLi2TiMn3 octahedra that share corners with three equivalent O(7)Li2TiMn3 octahedra, corners with three equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li2TiMn3 octahedra, and edges with three equivalent O(1)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°.