UCuO6 crystallizes in the triclinic P-1 space group. U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent Cu(1)O5 square pyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. Cu(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted CuO5 square pyramids that share corners with three equivalent U(1)O7 pentagonal bipyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one U(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one U(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent U(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one Cu(1) atom.
UCuO6 crystallizes in the triclinic P-1 space group. U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent Cu(1)O5 square pyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. The U(1)-O(1) bond length is 1.84 Å. The U(1)-O(2) bond length is 1.85 Å. The U(1)-O(3) bond length is 2.22 Å. The U(1)-O(4) bond length is 2.50 Å. The U(1)-O(6) bond length is 2.01 Å. There is one shorter (1.99 Å) and one longer (2.39 Å) U(1)-O(5) bond length. Cu(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted CuO5 square pyramids that share corners with three equivalent U(1)O7 pentagonal bipyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. The Cu(1)-O(2) bond length is 2.56 Å. The Cu(1)-O(3) bond length is 1.80 Å. The Cu(1)-O(6) bond length is 1.82 Å. There is one shorter (1.84 Å) and one longer (1.86 Å) Cu(1)-O(4) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one U(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one U(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent U(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one Cu(1) atom.