Li2Ti2Mn3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(7), and two equivalent O(6) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(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, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-74°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(8), one O(9), and two equivalent O(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), 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 Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 17°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), 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 Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 19°. 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 Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 12-19°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(7), one O(9), and two equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(8), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  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 Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 14°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(2), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Ti(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(6)Li2Ti2 tetrahedra,  a cornercorner with one O(5)Li2Ti2 trigonal pyramid,  an edgeedge with one O(2)LiTiMn3 square pyramid,  an edgeedge with one O(6)Li2Ti2 tetrahedra, and edges with two equivalent O(8)LiTiMn2 tetrahedra. In the third O site, O(3) is bonded in a 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 two equivalent Li(2), one Ti(1), and one Ti(2) atom to form OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(2)LiTiMn3 square pyramid,  a cornercorner with one O(8)LiTiMn2 tetrahedra,  an edgeedge with one O(6)Li2Ti2 tetrahedra,  an edgeedge with one O(8)LiTiMn2 tetrahedra, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 tetrahedra that share  a cornercorner with one O(2)LiTiMn3 square pyramid,  a cornercorner with one O(8)LiTiMn2 tetrahedra,  an edgeedge with one O(2)LiTiMn3 square pyramid,  an edgeedge with one O(6)Li2Ti2 tetrahedra, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(2), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded to one Li(2), one Ti(1), one Mn(1), and one Mn(3) atom to form OLiTiMn2 tetrahedra that share  a cornercorner with one O(6)Li2Ti2 tetrahedra,  a cornercorner with one O(5)Li2Ti2 trigonal pyramid, edges with two equivalent O(2)LiTiMn3 square pyramids, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to 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 P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(7), and two equivalent O(6) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(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, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-74°. The Li(1)-O(10) bond length is 2.05 Å. The Li(1)-O(2) bond length is 2.14 Å. The Li(1)-O(7) bond length is 2.14 Å. There is one shorter (2.03 Å) and one longer (2.11 Å) Li(1)-O(6) bond length. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(8), one O(9), and two equivalent O(5) atoms. The Li(2)-O(10) bond length is 2.15 Å. The Li(2)-O(8) bond length is 2.12 Å. The Li(2)-O(9) bond length is 2.11 Å. There is one shorter (2.06 Å) and one longer (2.21 Å) Li(2)-O(5) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), 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 Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 17°. The Ti(1)-O(2) bond length is 2.17 Å. The Ti(1)-O(3) bond length is 2.13 Å. The Ti(1)-O(5) bond length is 1.88 Å. The Ti(1)-O(6) bond length is 1.89 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(1), one O(10), 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 Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 19°. The Ti(2)-O(1) bond length is 2.17 Å. The Ti(2)-O(10) bond length is 1.78 Å. The Ti(2)-O(4) bond length is 2.14 Å. The Ti(2)-O(5) bond length is 1.90 Å. The Ti(2)-O(6) bond length is 1.90 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 Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 12-19°. The Mn(1)-O(1) bond length is 2.02 Å. The Mn(1)-O(2) bond length is 1.98 Å. The Mn(1)-O(3) bond length is 2.27 Å. The Mn(1)-O(4) bond length is 2.26 Å. The Mn(1)-O(7) bond length is 1.93 Å. The Mn(1)-O(8) bond length is 1.93 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(7), one O(9), and two equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. The Mn(2)-O(3) bond length is 1.90 Å. The Mn(2)-O(4) bond length is 1.96 Å. The Mn(2)-O(7) bond length is 1.90 Å. The Mn(2)-O(9) bond length is 1.88 Å. There is one shorter (1.98 Å) and one longer (2.06 Å) Mn(2)-O(1) bond length. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(8), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  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 Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 14°. The Mn(3)-O(10) bond length is 2.19 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(8) bond length is 1.95 Å. There is one shorter (1.93 Å) and one longer (2.42 Å) Mn(3)-O(2) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(2), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Ti(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(6)Li2Ti2 tetrahedra,  a cornercorner with one O(5)Li2Ti2 trigonal pyramid,  an edgeedge with one O(2)LiTiMn3 square pyramid,  an edgeedge with one O(6)Li2Ti2 tetrahedra, and edges with two equivalent O(8)LiTiMn2 tetrahedra. In the third O site, O(3) is bonded in a 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 two equivalent Li(2), one Ti(1), and one Ti(2) atom to form OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(2)LiTiMn3 square pyramid,  a cornercorner with one O(8)LiTiMn2 tetrahedra,  an edgeedge with one O(6)Li2Ti2 tetrahedra,  an edgeedge with one O(8)LiTiMn2 tetrahedra, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 tetrahedra that share  a cornercorner with one O(2)LiTiMn3 square pyramid,  a cornercorner with one O(8)LiTiMn2 tetrahedra,  an edgeedge with one O(2)LiTiMn3 square pyramid,  an edgeedge with one O(6)Li2Ti2 tetrahedra, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(2), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded to one Li(2), one Ti(1), one Mn(1), and one Mn(3) atom to form OLiTiMn2 tetrahedra that share  a cornercorner with one O(6)Li2Ti2 tetrahedra,  a cornercorner with one O(5)Li2Ti2 trigonal pyramid, edges with two equivalent O(2)LiTiMn3 square pyramids, and  an edgeedge with one O(5)Li2Ti2 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to 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.