CaVCuHO5 crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form VO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. Cu(1) is bonded to one O(2), one O(5), 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 and edges with two equivalent Cu(1)O6 octahedra. H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one Cu(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one H(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), and two equivalent Cu(1) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Cu(1), and one H(1) atom.
CaVCuHO5 crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. The Ca(1)-O(3) bond length is 2.58 Å. The Ca(1)-O(4) bond length is 2.41 Å. There is one shorter (2.63 Å) and one longer (2.73 Å) Ca(1)-O(1) bond length. There is one shorter (2.41 Å) and one longer (2.55 Å) Ca(1)-O(2) bond length. There is one shorter (2.48 Å) and one longer (2.51 Å) Ca(1)-O(5) bond length. V(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form VO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. The V(1)-O(1) bond length is 1.73 Å. The V(1)-O(2) bond length is 1.74 Å. The V(1)-O(3) bond length is 1.80 Å. The V(1)-O(5) bond length is 1.74 Å. Cu(1) is bonded to one O(2), one O(5), 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 and edges with two equivalent Cu(1)O6 octahedra. The Cu(1)-O(2) bond length is 2.41 Å. The Cu(1)-O(5) bond length is 2.47 Å. There is one shorter (2.03 Å) and one longer (2.04 Å) Cu(1)-O(3) bond length. There is one shorter (1.92 Å) and one longer (1.93 Å) Cu(1)-O(4) bond length. H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. The H(1)-O(1) bond length is 1.61 Å. The H(1)-O(4) bond length is 1.01 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one Cu(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one H(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one V(1), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), and two equivalent Cu(1) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Cu(1), and one H(1) atom.