Cu5H14(SO9)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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 Cu(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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 Cu(3)O6 octahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 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 Cu(3)O6 octahedra. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(8) and two equivalent O(9) atoms. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(5) and one O(8) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(7) and one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(6) and one O(9) atom. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, and  a cornercorner with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Cu(3), and one H(2) atom. In the third O site, O(3) is bonded to one Cu(1), two equivalent Cu(3), and one H(3) atom to form a mixture of distorted edge and corner-sharing OCu3H tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one H(4) and one S(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one H(7) and one S(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one H(5) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(4), one H(4), and one H(5) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Cu(4), one H(6), and one H(7) atom.
Cu5H14(SO9)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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 Cu(3)O6 octahedra. Both Cu(1)-O(1) bond lengths are 1.94 Å. Both Cu(1)-O(3) bond lengths are 1.98 Å. Both Cu(1)-O(4) bond lengths are 2.44 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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 Cu(3)O6 octahedra. Both Cu(2)-O(1) bond lengths are 1.93 Å. Both Cu(2)-O(2) bond lengths are 2.04 Å. Both Cu(2)-O(4) bond lengths are 2.48 Å. In the third Cu site, Cu(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 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 Cu(3)O6 octahedra. The Cu(3)-O(1) bond length is 2.37 Å. The Cu(3)-O(4) bond length is 2.40 Å. There is one shorter (1.97 Å) and one longer (2.07 Å) Cu(3)-O(2) bond length. There is one shorter (1.98 Å) and one longer (2.03 Å) Cu(3)-O(3) bond length. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(8) and two equivalent O(9) atoms. Both Cu(4)-O(8) bond lengths are 1.91 Å. Both Cu(4)-O(9) bond lengths are 2.03 Å. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. The H(3)-O(3) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a linear geometry to one O(5) and one O(8) atom. The H(4)-O(5) bond length is 1.59 Å. The H(4)-O(8) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(7) and one O(8) atom. The H(5)-O(7) bond length is 1.62 Å. The H(5)-O(8) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. The H(6)-O(9) bond length is 0.99 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(6) and one O(9) atom. The H(7)-O(6) bond length is 1.70 Å. The H(7)-O(9) bond length is 1.01 Å. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, and  a cornercorner with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. The S(1)-O(4) bond length is 1.50 Å. The S(1)-O(5) bond length is 1.50 Å. The S(1)-O(6) bond length is 1.49 Å. The S(1)-O(7) bond length is 1.50 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Cu(3), and one H(2) atom. In the third O site, O(3) is bonded to one Cu(1), two equivalent Cu(3), and one H(3) atom to form a mixture of distorted edge and corner-sharing OCu3H tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one H(4) and one S(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one H(7) and one S(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one H(5) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(4), one H(4), and one H(5) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Cu(4), one H(6), and one H(7) atom.