Li2Ti2Mn3O10 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-32°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-32°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) 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 MnO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-26°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLiTiMn3 square pyramids that share  a cornercorner with one O(2)LiTiMn3 square pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids,  an edgeedge with one O(2)LiTiMn3 square pyramid,  an edgeedge with one O(7)LiTiMn2 tetrahedra, and  an edgeedge with one O(6)Li2Ti2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(1)LiTiMn3 square pyramid, corners with two equivalent O(6)Li2Ti2 trigonal pyramids,  an edgeedge with one O(1)LiTiMn3 square pyramid, edges with two equivalent O(7)LiTiMn2 tetrahedra, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form OLi2Ti2 trigonal pyramids that share corners with two equivalent O(1)LiTiMn3 square pyramids, corners with two equivalent O(7)LiTiMn2 tetrahedra,  an edgeedge with one O(2)LiTiMn3 square pyramid, and edges with two equivalent O(6)Li2Ti2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 trigonal pyramids that share corners with two equivalent O(2)LiTiMn3 square pyramids,  an edgeedge with one O(1)LiTiMn3 square pyramid,  an edgeedge with one O(7)LiTiMn2 tetrahedra, and edges with two equivalent O(5)Li2Ti2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Ti(2), one Mn(1), and one Mn(3) atom to form distorted OLiTiMn2 tetrahedra that share corners with two equivalent O(5)Li2Ti2 trigonal pyramids,  an edgeedge with one O(1)LiTiMn3 square pyramid, edges with two equivalent O(2)LiTiMn3 square pyramids, and  an edgeedge with one O(6)Li2Ti2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(2), and one Mn(3) atom.
Li2Ti2Mn3O10 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. The Li(1)-O(10) bond length is 2.03 Å. The Li(1)-O(2) bond length is 2.53 Å. The Li(1)-O(5) bond length is 2.05 Å. The Li(1)-O(6) bond length is 2.13 Å. The Li(1)-O(7) bond length is 2.08 Å. The Li(1)-O(9) bond length is 2.59 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-32°. The Li(2)-O(1) bond length is 2.29 Å. The Li(2)-O(10) bond length is 2.32 Å. The Li(2)-O(5) bond length is 2.17 Å. The Li(2)-O(6) bond length is 2.04 Å. The Li(2)-O(8) bond length is 2.14 Å. The Li(2)-O(9) bond length is 2.11 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. The Ti(1)-O(1) bond length is 2.17 Å. The Ti(1)-O(3) bond length is 2.15 Å. The Ti(1)-O(5) bond length is 1.87 Å. The Ti(1)-O(6) bond length is 1.88 Å. The Ti(1)-O(8) bond length is 2.10 Å. The Ti(1)-O(9) bond length is 1.87 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-32°. The Ti(2)-O(10) bond length is 1.78 Å. The Ti(2)-O(2) bond length is 2.15 Å. The Ti(2)-O(4) bond length is 2.15 Å. The Ti(2)-O(5) bond length is 1.91 Å. The Ti(2)-O(6) bond length is 1.91 Å. The Ti(2)-O(7) bond length is 2.21 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) 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 MnO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-O(2) bond length is 2.01 Å. The Mn(1)-O(3) bond length is 2.25 Å. The Mn(1)-O(4) bond length is 2.24 Å. The Mn(1)-O(7) bond length is 1.91 Å. The Mn(1)-O(8) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-26°. The Mn(2)-O(1) bond length is 1.94 Å. The Mn(2)-O(2) bond length is 2.09 Å. The Mn(2)-O(3) bond length is 1.94 Å. The Mn(2)-O(4) bond length is 1.95 Å. The Mn(2)-O(8) bond length is 1.92 Å. The Mn(2)-O(9) bond length is 1.89 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. The Mn(3)-O(1) bond length is 2.33 Å. The Mn(3)-O(10) bond length is 2.17 Å. The Mn(3)-O(2) bond length is 2.01 Å. The Mn(3)-O(3) bond length is 1.99 Å. The Mn(3)-O(4) bond length is 1.95 Å. The Mn(3)-O(7) bond length is 1.93 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLiTiMn3 square pyramids that share  a cornercorner with one O(2)LiTiMn3 square pyramid, corners with two equivalent O(5)Li2Ti2 trigonal pyramids,  an edgeedge with one O(2)LiTiMn3 square pyramid,  an edgeedge with one O(7)LiTiMn2 tetrahedra, and  an edgeedge with one O(6)Li2Ti2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(1)LiTiMn3 square pyramid, corners with two equivalent O(6)Li2Ti2 trigonal pyramids,  an edgeedge with one O(1)LiTiMn3 square pyramid, edges with two equivalent O(7)LiTiMn2 tetrahedra, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form OLi2Ti2 trigonal pyramids that share corners with two equivalent O(1)LiTiMn3 square pyramids, corners with two equivalent O(7)LiTiMn2 tetrahedra,  an edgeedge with one O(2)LiTiMn3 square pyramid, and edges with two equivalent O(6)Li2Ti2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 trigonal pyramids that share corners with two equivalent O(2)LiTiMn3 square pyramids,  an edgeedge with one O(1)LiTiMn3 square pyramid,  an edgeedge with one O(7)LiTiMn2 tetrahedra, and edges with two equivalent O(5)Li2Ti2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Ti(2), one Mn(1), and one Mn(3) atom to form distorted OLiTiMn2 tetrahedra that share corners with two equivalent O(5)Li2Ti2 trigonal pyramids,  an edgeedge with one O(1)LiTiMn3 square pyramid, edges with two equivalent O(2)LiTiMn3 square pyramids, and  an edgeedge with one O(6)Li2Ti2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Ti(2), and one Mn(3) atom.