Li4Ti3Cu3(WO8)2 is Hausmannite-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 Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. 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 to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. 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 Cu(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. 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 W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. 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 distorted TiO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted WO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second W site, W(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one W(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Ti(1), and one W(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Cu(1) atom to form OLiTi2Cu trigonal pyramids that share  a cornercorner with one O(12)LiCu2W tetrahedra, corners with three equivalent O(4)LiTi2Cu tetrahedra, and edges with two equivalent O(6)LiTiCuW tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Cu(1) atom to form OLiTi2Cu tetrahedra that share corners with four equivalent O(6)LiTiCuW tetrahedra and corners with three equivalent O(3)LiTi2Cu trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Cu(2) atoms to form OLiTiCu2 tetrahedra that share corners with two equivalent O(12)LiCu2W tetrahedra and corners with three equivalent O(10)LiTiCu2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one W(1), and one Cu(1) atom to form distorted OLiTiCuW tetrahedra that share  a cornercorner with one O(10)LiTiCu2 tetrahedra,  a cornercorner with one O(6)LiTiCuW tetrahedra, corners with two equivalent O(4)LiTi2Cu tetrahedra,  an edgeedge with one O(6)LiTiCuW tetrahedra, and  an edgeedge with one O(3)LiTi2Cu trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one W(1), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Ti(2), one W(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Ti(2), and two equivalent Cu(2) atoms to form OLiTiCu2 tetrahedra that share corners with two equivalent O(6)LiTiCuW tetrahedra, corners with three equivalent O(5)LiTiCu2 tetrahedra, and  an edgeedge with one O(12)LiCu2W tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one W(2), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one W(2), and two equivalent Cu(2) atoms to form distorted OLiCu2W tetrahedra that share corners with two equivalent O(5)LiTiCu2 tetrahedra,  a cornercorner with one O(3)LiTi2Cu trigonal pyramid, and  an edgeedge with one O(10)LiTiCu2 tetrahedra.
Li4Ti3Cu3(WO8)2 is Hausmannite-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 Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. The Li(1)-O(12) bond length is 1.97 Å. The Li(1)-O(3) bond length is 2.03 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 1.93 Å. The Li(2)-O(7) bond length is 2.23 Å. Both Li(2)-O(11) bond lengths are 2.08 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. The Li(3)-O(4) bond length is 1.92 Å. The Li(3)-O(8) bond length is 1.96 Å. Both Li(3)-O(1) bond lengths are 2.06 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 Cu(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. The Li(4)-O(10) bond length is 2.04 Å. The Li(4)-O(2) bond length is 2.14 Å. Both Li(4)-O(6) bond lengths are 2.02 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 W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Ti(1)-O(11) bond length is 2.21 Å. The Ti(1)-O(2) bond length is 2.10 Å. The Ti(1)-O(3) bond length is 1.96 Å. The Ti(1)-O(4) bond length is 1.96 Å. The Ti(1)-O(6) bond length is 1.86 Å. The Ti(1)-O(7) bond length is 2.00 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 distorted TiO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. The Ti(2)-O(10) bond length is 1.94 Å. The Ti(2)-O(5) bond length is 1.91 Å. Both Ti(2)-O(1) bond lengths are 2.28 Å. Both Ti(2)-O(9) bond lengths are 1.93 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted WO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. The W(1)-O(2) bond length is 2.11 Å. The W(1)-O(8) bond length is 1.84 Å. Both W(1)-O(1) bond lengths are 1.88 Å. Both W(1)-O(6) bond lengths are 2.12 Å. In the second W site, W(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The W(2)-O(12) bond length is 1.84 Å. The W(2)-O(7) bond length is 2.31 Å. Both W(2)-O(11) bond lengths are 1.90 Å. Both W(2)-O(9) bond lengths are 2.03 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Cu(1)-O(3) bond length is 2.03 Å. The Cu(1)-O(4) bond length is 2.02 Å. Both Cu(1)-O(11) bond lengths are 2.18 Å. Both Cu(1)-O(6) bond lengths are 2.30 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom. The Cu(2)-O(1) bond length is 2.25 Å. The Cu(2)-O(10) bond length is 1.94 Å. The Cu(2)-O(12) bond length is 2.28 Å. The Cu(2)-O(5) bond length is 1.95 Å. The Cu(2)-O(8) bond length is 2.22 Å. The Cu(2)-O(9) bond length is 2.52 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one W(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Ti(1), and one W(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Cu(1) atom to form OLiTi2Cu trigonal pyramids that share  a cornercorner with one O(12)LiCu2W tetrahedra, corners with three equivalent O(4)LiTi2Cu tetrahedra, and edges with two equivalent O(6)LiTiCuW tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Cu(1) atom to form OLiTi2Cu tetrahedra that share corners with four equivalent O(6)LiTiCuW tetrahedra and corners with three equivalent O(3)LiTi2Cu trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Cu(2) atoms to form OLiTiCu2 tetrahedra that share corners with two equivalent O(12)LiCu2W tetrahedra and corners with three equivalent O(10)LiTiCu2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one W(1), and one Cu(1) atom to form distorted OLiTiCuW tetrahedra that share  a cornercorner with one O(10)LiTiCu2 tetrahedra,  a cornercorner with one O(6)LiTiCuW tetrahedra, corners with two equivalent O(4)LiTi2Cu tetrahedra,  an edgeedge with one O(6)LiTiCuW tetrahedra, and  an edgeedge with one O(3)LiTi2Cu trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one W(1), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Ti(2), one W(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Ti(2), and two equivalent Cu(2) atoms to form OLiTiCu2 tetrahedra that share corners with two equivalent O(6)LiTiCuW tetrahedra, corners with three equivalent O(5)LiTiCu2 tetrahedra, and  an edgeedge with one O(12)LiCu2W tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one W(2), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one W(2), and two equivalent Cu(2) atoms to form distorted OLiCu2W tetrahedra that share corners with two equivalent O(5)LiTiCu2 tetrahedra,  a cornercorner with one O(3)LiTi2Cu trigonal pyramid, and  an edgeedge with one O(10)LiTiCu2 tetrahedra.