RbLiCu2H3(SO5)2 crystallizes in the triclinic P1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(8) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(5) and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. In the second S site, S(2) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(2), and one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Cu(1), one Cu(2), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), one Cu(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(2) atom.
RbLiCu2H3(SO5)2 crystallizes in the triclinic P1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. The Rb(1)-O(2) bond length is 2.88 Å. The Rb(1)-O(3) bond length is 2.89 Å. The Rb(1)-O(7) bond length is 2.92 Å. The Rb(1)-O(8) bond length is 2.93 Å. There is one shorter (3.04 Å) and one longer (3.06 Å) Rb(1)-O(10) bond length. There is one shorter (3.03 Å) and one longer (3.06 Å) Rb(1)-O(9) bond length. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(9) atom. The Li(1)-O(1) bond length is 2.02 Å. The Li(1)-O(10) bond length is 1.98 Å. The Li(1)-O(4) bond length is 2.02 Å. The Li(1)-O(9) bond length is 1.97 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. The Cu(1)-O(2) bond length is 2.09 Å. The Cu(1)-O(4) bond length is 2.13 Å. The Cu(1)-O(5) bond length is 2.12 Å. The Cu(1)-O(6) bond length is 2.03 Å. The Cu(1)-O(7) bond length is 2.57 Å. The Cu(1)-O(8) bond length is 2.61 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(8) atom. The Cu(2)-O(1) bond length is 2.12 Å. The Cu(2)-O(3) bond length is 2.12 Å. The Cu(2)-O(5) bond length is 2.11 Å. The Cu(2)-O(6) bond length is 2.02 Å. The Cu(2)-O(8) bond length is 2.50 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. The H(2)-O(6) bond length is 0.98 Å. In the third H site, H(3) is bonded in a linear geometry to one O(5) and one O(6) atom. The H(3)-O(5) bond length is 1.10 Å. The H(3)-O(6) bond length is 1.39 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. The S(1)-O(1) bond length is 1.53 Å. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(7) bond length is 1.47 Å. The S(1)-O(9) bond length is 1.50 Å. In the second S site, S(2) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. The S(2)-O(10) bond length is 1.50 Å. The S(2)-O(3) bond length is 1.49 Å. The S(2)-O(4) bond length is 1.53 Å. The S(2)-O(8) bond length is 1.47 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(2), and one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Cu(1), one Cu(2), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), one Cu(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(2) atom.