Y2CuTiO6 crystallizes in the hexagonal P-6m2 space group. Y(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 in a 4-coordinate geometry to three equivalent Y(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Y(1) and one Cu(1) atom to form OY3Cu tetrahedra that share corners with seven equivalent O(2)Y3Cu tetrahedra and edges with three equivalent O(4)Y2Cu3 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 Y(1) and three equivalent Cu(1) atoms to form OY2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Y2Cu3 trigonal bipyramids and edges with six equivalent O(2)Y3Cu tetrahedra.
Y2CuTiO6 crystallizes in the hexagonal P-6m2 space group. Y(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. The Y(1)-O(4) bond length is 2.56 Å. All Y(1)-O(1) bond lengths are 2.44 Å. All Y(1)-O(2) bond lengths are 2.20 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 1.86 Å. All Ti(1)-O(3) bond lengths are 2.10 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 1.91 Å. All Cu(1)-O(4) bond lengths are 2.10 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Y(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Y(1) and one Cu(1) atom to form OY3Cu tetrahedra that share corners with seven equivalent O(2)Y3Cu tetrahedra and edges with three equivalent O(4)Y2Cu3 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 Y(1) and three equivalent Cu(1) atoms to form OY2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Y2Cu3 trigonal bipyramids and edges with six equivalent O(2)Y3Cu tetrahedra.