CuZnAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. Zn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. 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 four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-65°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent Zn(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Zn(1) atom.
CuZnAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. The Cu(1)-O(3) bond length is 2.37 Å. The Cu(1)-O(4) bond length is 2.38 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Cu(1)-O(1) bond length. There is one shorter (1.86 Å) and one longer (1.90 Å) Cu(1)-O(5) bond length. Zn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. The Zn(1)-O(2) bond length is 1.93 Å. The Zn(1)-O(3) bond length is 2.07 Å. The Zn(1)-O(5) bond length is 1.98 Å. There is one shorter (2.39 Å) and one longer (2.56 Å) Zn(1)-O(4) bond length. 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 four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-65°. The As(1)-O(1) bond length is 1.78 Å. The As(1)-O(2) bond length is 1.70 Å. The As(1)-O(3) bond length is 1.71 Å. The As(1)-O(4) bond length is 1.72 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent Zn(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Zn(1) atom.