Cu2Zn3(AsO4)4 crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(13), and one O(3) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(12), one O(14), one O(2), and one O(4) atom. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(11), one O(16), one O(7), and one O(9) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(3)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(10), one O(12), one O(15), one O(2), and one O(8) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. In the third Zn site, Zn(3) is bonded to one O(10), one O(13), one O(15), one O(3), and one O(5) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. There are four inequivalent As sites. In the first As site, As(1) is bonded to one O(12), one O(15), one O(3), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(1)O5 trigonal bipyramid, corners with two equivalent Zn(2)O5 trigonal bipyramids, and corners with two equivalent Zn(3)O5 trigonal bipyramids. In the second As site, As(2) is bonded to one O(11), one O(16), one O(4), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(2)O5 trigonal bipyramid and corners with two equivalent Zn(1)O5 trigonal bipyramids. In the third As site, As(3) is bonded to one O(1), one O(14), one O(5), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(3)O5 trigonal bipyramid and corners with two equivalent Zn(1)O5 trigonal bipyramids. In the fourth As site, As(4) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O5 trigonal bipyramids and corners with two equivalent Zn(3)O5 trigonal bipyramids. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Zn(1), and one As(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2), one Zn(2), and one As(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Zn(3), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(3) and one As(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one As(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Zn(1) and one As(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(3), and one As(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Cu(1), one Zn(1), and one As(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(2), one Zn(2), and one As(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cu(1), one Zn(3), and one As(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(3), and one As(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom.
Cu2Zn3(AsO4)4 crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(13), and one O(3) atom. The Cu(1)-O(1) bond length is 1.85 Å. The Cu(1)-O(11) bond length is 1.91 Å. The Cu(1)-O(13) bond length is 1.90 Å. The Cu(1)-O(3) bond length is 1.87 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(12), one O(14), one O(2), and one O(4) atom. The Cu(2)-O(12) bond length is 1.93 Å. The Cu(2)-O(14) bond length is 1.84 Å. The Cu(2)-O(2) bond length is 1.88 Å. The Cu(2)-O(4) bond length is 1.82 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(11), one O(16), one O(7), and one O(9) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(3)O4 tetrahedra. The Zn(1)-O(1) bond length is 2.37 Å. The Zn(1)-O(11) bond length is 2.18 Å. The Zn(1)-O(16) bond length is 1.95 Å. The Zn(1)-O(7) bond length is 2.02 Å. The Zn(1)-O(9) bond length is 1.97 Å. In the second Zn site, Zn(2) is bonded to one O(10), one O(12), one O(15), one O(2), and one O(8) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. The Zn(2)-O(10) bond length is 2.11 Å. The Zn(2)-O(12) bond length is 2.14 Å. The Zn(2)-O(15) bond length is 2.02 Å. The Zn(2)-O(2) bond length is 2.30 Å. The Zn(2)-O(8) bond length is 1.95 Å. In the third Zn site, Zn(3) is bonded to one O(10), one O(13), one O(15), one O(3), and one O(5) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. The Zn(3)-O(10) bond length is 2.02 Å. The Zn(3)-O(13) bond length is 2.13 Å. The Zn(3)-O(15) bond length is 2.13 Å. The Zn(3)-O(3) bond length is 2.26 Å. The Zn(3)-O(5) bond length is 1.96 Å. There are four inequivalent As sites. In the first As site, As(1) is bonded to one O(12), one O(15), one O(3), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(1)O5 trigonal bipyramid, corners with two equivalent Zn(2)O5 trigonal bipyramids, and corners with two equivalent Zn(3)O5 trigonal bipyramids. The As(1)-O(12) bond length is 1.77 Å. The As(1)-O(15) bond length is 1.73 Å. The As(1)-O(3) bond length is 1.76 Å. The As(1)-O(7) bond length is 1.69 Å. In the second As site, As(2) is bonded to one O(11), one O(16), one O(4), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(2)O5 trigonal bipyramid and corners with two equivalent Zn(1)O5 trigonal bipyramids. The As(2)-O(11) bond length is 1.78 Å. The As(2)-O(16) bond length is 1.69 Å. The As(2)-O(4) bond length is 1.76 Å. The As(2)-O(8) bond length is 1.70 Å. In the third As site, As(3) is bonded to one O(1), one O(14), one O(5), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(3)O5 trigonal bipyramid and corners with two equivalent Zn(1)O5 trigonal bipyramids. The As(3)-O(1) bond length is 1.80 Å. The As(3)-O(14) bond length is 1.76 Å. The As(3)-O(5) bond length is 1.71 Å. The As(3)-O(9) bond length is 1.68 Å. In the fourth As site, As(4) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O5 trigonal bipyramids and corners with two equivalent Zn(3)O5 trigonal bipyramids. The As(4)-O(10) bond length is 1.74 Å. The As(4)-O(13) bond length is 1.81 Å. The As(4)-O(2) bond length is 1.77 Å. The As(4)-O(6) bond length is 1.66 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Zn(1), and one As(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2), one Zn(2), and one As(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Zn(3), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(3) and one As(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one As(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Zn(1) and one As(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(3), and one As(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Cu(1), one Zn(1), and one As(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(2), one Zn(2), and one As(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cu(1), one Zn(3), and one As(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(3), and one As(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom.