Lu2TiCuO6 crystallizes in the hexagonal P-6m2 space group. Lu(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and three equivalent O(3) atoms to form corner-sharing TiO5 trigonal bipyramids. Cu(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form corner-sharing CuO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Ti(1) atom to form distorted OLu3Ti tetrahedra that share corners with three equivalent O(2)Lu3Cu tetrahedra, corners with seven equivalent O(1)Lu3Ti tetrahedra, corners with three equivalent O(4)Lu2Cu3 trigonal bipyramids, and edges with three equivalent O(2)Lu3Cu tetrahedra. In the second O site, O(2) is bonded to three equivalent Lu(1) and one Cu(1) atom to form OLu3Cu tetrahedra that share corners with three equivalent O(1)Lu3Ti tetrahedra, corners with seven equivalent O(2)Lu3Cu tetrahedra, edges with three equivalent O(1)Lu3Ti tetrahedra, and edges with three equivalent O(4)Lu2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Lu(1) and three equivalent Cu(1) atoms to form OLu2Cu3 trigonal bipyramids that share corners with six equivalent O(1)Lu3Ti tetrahedra, corners with six equivalent O(4)Lu2Cu3 trigonal bipyramids, and edges with six equivalent O(2)Lu3Cu tetrahedra.
Lu2TiCuO6 crystallizes in the hexagonal P-6m2 space group. Lu(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. The Lu(1)-O(4) bond length is 2.58 Å. All Lu(1)-O(1) bond lengths are 2.36 Å. All Lu(1)-O(2) bond lengths are 2.15 Å. Ti(1) is bonded to two equivalent O(1) and three equivalent O(3) atoms to form corner-sharing TiO5 trigonal bipyramids. Both Ti(1)-O(1) bond lengths are 1.88 Å. All Ti(1)-O(3) bond lengths are 2.04 Å. Cu(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form corner-sharing CuO5 trigonal bipyramids. Both Cu(1)-O(2) bond lengths are 1.90 Å. All Cu(1)-O(4) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Ti(1) atom to form distorted OLu3Ti tetrahedra that share corners with three equivalent O(2)Lu3Cu tetrahedra, corners with seven equivalent O(1)Lu3Ti tetrahedra, corners with three equivalent O(4)Lu2Cu3 trigonal bipyramids, and edges with three equivalent O(2)Lu3Cu tetrahedra. In the second O site, O(2) is bonded to three equivalent Lu(1) and one Cu(1) atom to form OLu3Cu tetrahedra that share corners with three equivalent O(1)Lu3Ti tetrahedra, corners with seven equivalent O(2)Lu3Cu tetrahedra, edges with three equivalent O(1)Lu3Ti tetrahedra, and edges with three equivalent O(4)Lu2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Lu(1) and three equivalent Cu(1) atoms to form OLu2Cu3 trigonal bipyramids that share corners with six equivalent O(1)Lu3Ti tetrahedra, corners with six equivalent O(4)Lu2Cu3 trigonal bipyramids, and edges with six equivalent O(2)Lu3Cu tetrahedra.