CuTa2O6 crystallizes in the monoclinic C2 space group. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 29-39°. Cu(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms.
CuTa2O6 crystallizes in the monoclinic C2 space group. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 29-39°. The Ta(1)-O(2) bond length is 2.07 Å. The Ta(1)-O(3) bond length is 1.94 Å. There is one shorter (2.05 Å) and one longer (2.07 Å) Ta(1)-O(1) bond length. There is one shorter (1.93 Å) and one longer (1.95 Å) Ta(1)-O(4) bond length. Cu(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. The Cu(1)-O(2) bond length is 1.97 Å. Both Cu(1)-O(1) bond lengths are 1.93 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms.