CuTa2O6 crystallizes in the orthorhombic Pmmm space group. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to four equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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(2) 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 distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms.
CuTa2O6 crystallizes in the orthorhombic Pmmm space group. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. The Ta(1)-O(1) bond length is 2.04 Å. The Ta(1)-O(2) bond length is 2.01 Å. The Ta(1)-O(3) bond length is 1.93 Å. The Ta(1)-O(4) bond length is 2.05 Å. The Ta(1)-O(5) bond length is 2.03 Å. The Ta(1)-O(6) bond length is 1.94 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.98 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Cu(2)-O(2) bond lengths are 1.99 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(4) atoms. All Cu(3)-O(4) bond lengths are 1.99 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to four equivalent O(5) atoms. All Cu(4)-O(5) bond lengths are 1.99 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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(2) 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 distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cu(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms.