CuZnAsO5 crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted CuO4 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Cu(1)O4 octahedra. Zn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form ZnO5 trigonal bipyramids that share corners with two equivalent Cu(1)O4 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O4 octahedra and corners with four equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one As(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zn(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Zn(1) atom.
CuZnAsO5 crystallizes in the orthorhombic Pnnm space group. Cu(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted CuO4 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Cu(1)O4 octahedra. Both Cu(1)-O(2) bond lengths are 1.94 Å. Both Cu(1)-O(4) bond lengths are 1.84 Å. Zn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form ZnO5 trigonal bipyramids that share corners with two equivalent Cu(1)O4 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. The Zn(1)-O(4) bond length is 2.08 Å. There is one shorter (2.01 Å) and one longer (2.12 Å) Zn(1)-O(1) bond length. Both Zn(1)-O(3) bond lengths are 1.97 Å. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with two equivalent Cu(1)O4 octahedra and corners with four equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. The As(1)-O(1) bond length is 1.73 Å. The As(1)-O(2) bond length is 1.79 Å. Both As(1)-O(3) bond lengths are 1.70 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one As(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zn(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Zn(1) atom.