Fe2CuAs2(HO5)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with four equivalent Fe(1)O6 octahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-59°. H(1) is bonded in a single-bond geometry to one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Cu(1), and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one As(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Cu(1) atom.
Fe2CuAs2(HO5)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The Fe(1)-O(1) bond length is 2.03 Å. The Fe(1)-O(2) bond length is 2.35 Å. The Fe(1)-O(3) bond length is 2.12 Å. The Fe(1)-O(4) bond length is 2.07 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Fe(1)-O(5) bond length. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with four equivalent Fe(1)O6 octahedra. Both Cu(1)-O(1) bond lengths are 2.46 Å. Both Cu(1)-O(3) bond lengths are 2.02 Å. Both Cu(1)-O(5) bond lengths are 1.92 Å. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-59°. The As(1)-O(1) bond length is 1.68 Å. The As(1)-O(2) bond length is 1.81 Å. The As(1)-O(3) bond length is 1.73 Å. The As(1)-O(4) bond length is 1.71 Å. H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 1.00 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Cu(1), and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one As(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Fe(1) and one Cu(1) atom.