CuZnP2O7 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form ZnO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-57°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(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 P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(1) atom.
CuZnP2O7 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. The Cu(1)-O(3) bond length is 2.09 Å. The Cu(1)-O(5) bond length is 2.46 Å. The Cu(1)-O(6) bond length is 2.00 Å. The Cu(1)-O(7) bond length is 2.09 Å. There is one shorter (1.93 Å) and one longer (2.48 Å) Cu(1)-O(4) bond length. Zn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form ZnO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. The Zn(1)-O(2) bond length is 1.96 Å. The Zn(1)-O(3) bond length is 2.16 Å. The Zn(1)-O(5) bond length is 2.01 Å. The Zn(1)-O(6) bond length is 2.11 Å. The Zn(1)-O(7) bond length is 2.06 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-57°. The P(1)-O(1) bond length is 1.61 Å. The P(1)-O(2) bond length is 1.50 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. The P(2)-O(1) bond length is 1.59 Å. The P(2)-O(3) bond length is 1.55 Å. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.56 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(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 P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(1) atom.