V2Cu3H6O11 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded to one Cu(1), two equivalent Cu(2), and one H(1) atom to form distorted corner-sharing OCu3H tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one H(1) and two equivalent H(2) atoms.
V2Cu3H6O11 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The V(1)-O(1) bond length is 1.79 Å. The V(1)-O(4) bond length is 1.79 Å. Both V(1)-O(3) bond lengths are 1.71 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Cu(2)O6 octahedra. Both Cu(1)-O(2) bond lengths are 1.97 Å. All Cu(1)-O(3) bond lengths are 2.15 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. Both Cu(2)-O(2) bond lengths are 1.95 Å. Both Cu(2)-O(3) bond lengths are 2.52 Å. Both Cu(2)-O(4) bond lengths are 1.99 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. The H(1)-O(2) bond length is 1.03 Å. The H(1)-O(5) bond length is 1.61 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.98 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded to one Cu(1), two equivalent Cu(2), and one H(1) atom to form distorted corner-sharing OCu3H tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one H(1) and two equivalent H(2) atoms.