Cu2ZnPO8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form CuO5 square pyramids that share  a cornercorner with one Zn(1)O4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one Cu(2)O5 square pyramid and corners with three equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O5 square pyramid and corners with three equivalent Zn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 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 Cu(2) and one P(1) atom. In the third O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one Cu(2) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Zn(1) atom. In the sixth O site, O(2) is bonded in a water-like geometry to one Cu(1) and one Cu(2) atom. In the seventh O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(1) atoms. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one P(1) atom.
Cu2ZnPO8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Cu(1)-O(1) bond length is 1.85 Å. The Cu(1)-O(2) bond length is 1.82 Å. There is one shorter (1.86 Å) and one longer (1.90 Å) Cu(1)-O(3) bond length. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form CuO5 square pyramids that share  a cornercorner with one Zn(1)O4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. The Cu(2)-O(1) bond length is 1.89 Å. The Cu(2)-O(2) bond length is 1.83 Å. The Cu(2)-O(3) bond length is 1.95 Å. The Cu(2)-O(6) bond length is 1.89 Å. The Cu(2)-O(8) bond length is 2.05 Å. Zn(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one Cu(2)O5 square pyramid and corners with three equivalent P(1)O4 tetrahedra. The Zn(1)-O(1) bond length is 2.04 Å. The Zn(1)-O(4) bond length is 1.97 Å. The Zn(1)-O(5) bond length is 1.96 Å. The Zn(1)-O(7) bond length is 1.94 Å. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O5 square pyramid and corners with three equivalent Zn(1)O4 tetrahedra. The P(1)-O(4) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.59 Å. The P(1)-O(7) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 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 Cu(2) and one P(1) atom. In the third O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one Cu(2) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Zn(1) atom. In the sixth O site, O(2) is bonded in a water-like geometry to one Cu(1) and one Cu(2) atom. In the seventh O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(1) atoms. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one P(1) atom.