Cu2ZnPO9 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and edges with three equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(3), one O(8), one O(9), and two equivalent O(4) atoms to form CuO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with three equivalent Cu(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. P(1) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the third O site, O(7) is bonded in a single-bond geometry to one O(8) atom. In the fourth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one O(7) atom. In the fifth O site, O(1) is bonded in a water-like geometry to one Cu(1) and one Cu(2) atom. In the sixth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the seventh O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the eighth O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Zn(1) atom. In the ninth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms.
Cu2ZnPO9 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and edges with three equivalent Cu(2)O6 octahedra. The Cu(1)-O(1) bond length is 1.95 Å. The Cu(1)-O(3) bond length is 1.84 Å. The Cu(1)-O(4) bond length is 1.89 Å. The Cu(1)-O(8) bond length is 2.24 Å. The Cu(1)-O(9) bond length is 1.99 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(3), one O(8), one O(9), and two equivalent O(4) atoms to form CuO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with three equivalent Cu(1)O5 trigonal bipyramids. The Cu(2)-O(1) bond length is 2.01 Å. The Cu(2)-O(3) bond length is 1.91 Å. The Cu(2)-O(8) bond length is 2.01 Å. The Cu(2)-O(9) bond length is 2.12 Å. There is one shorter (1.93 Å) and one longer (1.96 Å) Cu(2)-O(4) bond length. Zn(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. The Zn(1)-O(2) bond length is 1.94 Å. The Zn(1)-O(3) bond length is 2.02 Å. The Zn(1)-O(5) bond length is 1.94 Å. The Zn(1)-O(6) bond length is 1.96 Å. P(1) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.52 Å. The P(1)-O(9) bond length is 1.60 Å. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the third O site, O(7) is bonded in a single-bond geometry to one O(8) atom. The O(7)-O(8) bond length is 1.26 Å. In the fourth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one O(7) atom. In the fifth O site, O(1) is bonded in a water-like geometry to one Cu(1) and one Cu(2) atom. In the sixth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the seventh O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the eighth O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Zn(1) atom. In the ninth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms.