Cu2Zn3H14(SO9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(8) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(6) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and  a cornercorner with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Zn(2), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(2) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Zn(2), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Zn(2), and one H(7) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Zn(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom.
Cu2Zn3H14(SO9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. Both Cu(1)-O(1) bond lengths are 2.45 Å. Both Cu(1)-O(5) bond lengths are 1.95 Å. Both Cu(1)-O(7) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. Both Cu(2)-O(1) bond lengths are 2.39 Å. Both Cu(2)-O(6) bond lengths are 1.94 Å. Both Cu(2)-O(7) bond lengths are 2.00 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra. Both Zn(1)-O(4) bond lengths are 2.09 Å. Both Zn(1)-O(8) bond lengths are 2.09 Å. Both Zn(1)-O(9) bond lengths are 2.12 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The Zn(2)-O(1) bond length is 2.18 Å. The Zn(2)-O(7) bond length is 2.09 Å. There is one shorter (2.04 Å) and one longer (2.14 Å) Zn(2)-O(5) bond length. There is one shorter (2.07 Å) and one longer (2.08 Å) Zn(2)-O(6) bond length. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(8) atom. The H(1)-O(3) bond length is 1.65 Å. The H(1)-O(8) bond length is 0.99 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(8) atom. The H(2)-O(2) bond length is 1.63 Å. The H(2)-O(8) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. The H(3)-O(9) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. The H(4)-O(9) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. The H(5)-O(7) bond length is 0.97 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. The H(6)-O(5) bond length is 0.97 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(6) atom. The H(7)-O(6) bond length is 0.97 Å. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and  a cornercorner with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. The S(1)-O(1) bond length is 1.49 Å. The S(1)-O(2) bond length is 1.48 Å. The S(1)-O(3) bond length is 1.48 Å. The S(1)-O(4) bond length is 1.47 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Zn(2), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(2) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Zn(2), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Zn(2), and one H(7) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Zn(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom.