Tm2TiCuO6 crystallizes in the hexagonal P-6m2 space group. Tm(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 Tm(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Tm(1) and one Cu(1) atom to form OTm3Cu tetrahedra that share corners with seven equivalent O(2)Tm3Cu tetrahedra and edges with three equivalent O(4)Tm2Cu3 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 Tm(1) and three equivalent Cu(1) atoms to form OTm2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Tm2Cu3 trigonal bipyramids and edges with six equivalent O(2)Tm3Cu tetrahedra.
Tm2TiCuO6 crystallizes in the hexagonal P-6m2 space group. Tm(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. The Tm(1)-O(4) bond length is 2.54 Å. All Tm(1)-O(1) bond lengths are 2.39 Å. All Tm(1)-O(2) bond lengths are 2.16 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 2.06 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 1.89 Å. All Cu(1)-O(4) bond lengths are 2.06 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Tm(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Tm(1) and one Cu(1) atom to form OTm3Cu tetrahedra that share corners with seven equivalent O(2)Tm3Cu tetrahedra and edges with three equivalent O(4)Tm2Cu3 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 Tm(1) and three equivalent Cu(1) atoms to form OTm2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Tm2Cu3 trigonal bipyramids and edges with six equivalent O(2)Tm3Cu tetrahedra.