Li4Ti3Mn3(CuO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)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 53-55°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Cu site, Cu(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Mn(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(1), and one Cu(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share corners with two equivalent O(9)LiTiMnCu tetrahedra, corners with three equivalent O(4)LiTi2Mn tetrahedra, and edges with two equivalent O(6)LiTiMnCu tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with four equivalent O(6)LiTiMnCu tetrahedra,  a cornercorner with one O(8)LiMn2Cu trigonal pyramid, and corners with three equivalent O(3)LiTi2Mn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Mn(2) atoms to form distorted OLiTiMn2 tetrahedra that share corners with four equivalent O(9)LiTiMnCu tetrahedra and  an edgeedge with one O(8)LiMn2Cu trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Mn(1), and one Cu(1) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(6)LiTiMnCu tetrahedra, corners with two equivalent O(4)LiTi2Mn tetrahedra,  a cornercorner with one O(8)LiMn2Cu trigonal pyramid,  an edgeedge with one O(6)LiTiMnCu tetrahedra, and  an edgeedge with one O(3)LiTi2Mn trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Mn(2), and one Cu(1) atom to form distorted OLiMn2Cu trigonal pyramids that share  a cornercorner with one O(4)LiTi2Mn tetrahedra, corners with two equivalent O(6)LiTiMnCu tetrahedra, corners with two equivalent O(9)LiTiMnCu tetrahedra, and  an edgeedge with one O(5)LiTiMn2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(2), and one Cu(2) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(9)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiTiMn2 tetrahedra,  a cornercorner with one O(8)LiMn2Cu trigonal pyramid,  a cornercorner with one O(3)LiTi2Mn trigonal pyramid, and  an edgeedge with one O(9)LiTiMnCu tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Cu(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(2), and one Cu(2) atom.
Li4Ti3Mn3(CuO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. The Li(1)-O(12) bond length is 1.95 Å. The Li(1)-O(3) bond length is 2.09 Å. Both Li(1)-O(9) bond lengths are 1.97 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. The Li(2)-O(5) bond length is 1.80 Å. The Li(2)-O(7) bond length is 1.97 Å. Both Li(2)-O(11) bond lengths are 1.91 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.79 Å. The Li(3)-O(8) bond length is 1.90 Å. Both Li(3)-O(1) bond lengths are 1.95 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. The Li(4)-O(10) bond length is 2.07 Å. The Li(4)-O(2) bond length is 1.92 Å. Both Li(4)-O(6) bond lengths are 1.99 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)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 53-55°. The Ti(1)-O(11) bond length is 1.98 Å. The Ti(1)-O(2) bond length is 1.90 Å. The Ti(1)-O(3) bond length is 1.99 Å. The Ti(1)-O(4) bond length is 1.99 Å. The Ti(1)-O(6) bond length is 2.03 Å. The Ti(1)-O(7) bond length is 1.95 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Ti(2)-O(10) bond length is 1.97 Å. The Ti(2)-O(5) bond length is 2.00 Å. Both Ti(2)-O(1) bond lengths are 1.98 Å. Both Ti(2)-O(9) bond lengths are 1.98 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Mn(1)-O(3) bond length is 1.95 Å. The Mn(1)-O(4) bond length is 1.93 Å. Both Mn(1)-O(11) bond lengths are 1.98 Å. Both Mn(1)-O(6) bond lengths are 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Mn(2)-O(1) bond length is 1.98 Å. The Mn(2)-O(10) bond length is 1.96 Å. The Mn(2)-O(12) bond length is 1.92 Å. The Mn(2)-O(5) bond length is 1.95 Å. The Mn(2)-O(8) bond length is 1.93 Å. The Mn(2)-O(9) bond length is 1.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Cu(1)-O(2) bond length is 2.36 Å. The Cu(1)-O(8) bond length is 2.21 Å. Both Cu(1)-O(1) bond lengths are 2.05 Å. Both Cu(1)-O(6) bond lengths are 2.08 Å. In the second Cu site, Cu(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Cu(2)-O(12) bond length is 2.34 Å. The Cu(2)-O(7) bond length is 2.21 Å. Both Cu(2)-O(11) bond lengths are 2.05 Å. Both Cu(2)-O(9) bond lengths are 2.08 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Mn(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(1), and one Cu(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share corners with two equivalent O(9)LiTiMnCu tetrahedra, corners with three equivalent O(4)LiTi2Mn tetrahedra, and edges with two equivalent O(6)LiTiMnCu tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Mn(1) atom to form distorted OLiTi2Mn tetrahedra that share corners with four equivalent O(6)LiTiMnCu tetrahedra,  a cornercorner with one O(8)LiMn2Cu trigonal pyramid, and corners with three equivalent O(3)LiTi2Mn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Mn(2) atoms to form distorted OLiTiMn2 tetrahedra that share corners with four equivalent O(9)LiTiMnCu tetrahedra and  an edgeedge with one O(8)LiMn2Cu trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Mn(1), and one Cu(1) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(6)LiTiMnCu tetrahedra, corners with two equivalent O(4)LiTi2Mn tetrahedra,  a cornercorner with one O(8)LiMn2Cu trigonal pyramid,  an edgeedge with one O(6)LiTiMnCu tetrahedra, and  an edgeedge with one O(3)LiTi2Mn trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Mn(2), and one Cu(1) atom to form distorted OLiMn2Cu trigonal pyramids that share  a cornercorner with one O(4)LiTi2Mn tetrahedra, corners with two equivalent O(6)LiTiMnCu tetrahedra, corners with two equivalent O(9)LiTiMnCu tetrahedra, and  an edgeedge with one O(5)LiTiMn2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(2), and one Cu(2) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(9)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiTiMn2 tetrahedra,  a cornercorner with one O(8)LiMn2Cu trigonal pyramid,  a cornercorner with one O(3)LiTi2Mn trigonal pyramid, and  an edgeedge with one O(9)LiTiMnCu tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Cu(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(2), and one Cu(2) atom.