Rb2MgCu4H5(SO5)4 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(14), one O(17), one O(18), one O(19), one O(2), one O(20), one O(3), one O(4), and one O(7) atom. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(17), one O(4), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(20), one O(4), one O(5), and one O(9) atom. There are four 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(13), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded to one O(10), one O(2), one O(3), one O(5), and one O(6) atom to form CuO5 square pyramids that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  a cornercorner with one S(4)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to one O(12), one O(15), one O(16), one O(18), one O(20), and one O(8) atom to form distorted CuO6 octahedra that share  a cornercorner with one Cu(4)O5 square pyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  an edgeedge with one Cu(4)O5 square pyramid. In the fourth Cu site, Cu(4) is bonded to one O(11), one O(12), one O(15), one O(16), and one O(19) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are five 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(15) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(15) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(16) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, and  a cornercorner with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 52°. In the second S site, S(2) is bonded to one O(19), one O(20), one O(7), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and  a cornercorner with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 57°. In the third S site, S(3) is bonded to one O(1), one O(12), one O(14), and one O(2) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, and  a cornercorner with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. In the fourth S site, S(4) is bonded to one O(10), one O(13), one O(17), and one O(18) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and  a cornercorner with one Cu(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 27°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(1), and one S(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(2), and one S(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), one Mg(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Mg(1), one Cu(1), one Cu(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like 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 single-bond geometry to one Rb(1), one Rb(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(3), and one S(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Rb(2), one Mg(1), and one S(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Rb(2), one Mg(1), one Cu(2), and one S(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(4), and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Rb(2), one Cu(3), one Cu(4), and one S(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(1), and one S(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one S(3) atom. In the fifteenth O site, O(15) is bonded in a distorted tetrahedral geometry to one Cu(3), one Cu(4), one H(3), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(4), and one H(5) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one S(4) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(3), and one S(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(4), and one S(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Rb(1), one Mg(1), one Cu(3), and one S(2) atom.
Rb2MgCu4H5(SO5)4 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(14), one O(17), one O(18), one O(19), one O(2), one O(20), one O(3), one O(4), and one O(7) atom. The Rb(1)-O(1) bond length is 2.87 Å. The Rb(1)-O(14) bond length is 3.22 Å. The Rb(1)-O(17) bond length is 2.95 Å. The Rb(1)-O(18) bond length is 3.00 Å. The Rb(1)-O(19) bond length is 3.01 Å. The Rb(1)-O(2) bond length is 2.93 Å. The Rb(1)-O(20) bond length is 2.98 Å. The Rb(1)-O(3) bond length is 3.01 Å. The Rb(1)-O(4) bond length is 3.29 Å. The Rb(1)-O(7) bond length is 3.25 Å. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(17), one O(4), one O(7), one O(8), and one O(9) atom. The Rb(2)-O(10) bond length is 3.22 Å. The Rb(2)-O(11) bond length is 2.80 Å. The Rb(2)-O(12) bond length is 2.90 Å. The Rb(2)-O(13) bond length is 2.89 Å. The Rb(2)-O(14) bond length is 2.79 Å. The Rb(2)-O(17) bond length is 3.22 Å. The Rb(2)-O(4) bond length is 3.50 Å. The Rb(2)-O(7) bond length is 3.42 Å. The Rb(2)-O(8) bond length is 2.98 Å. The Rb(2)-O(9) bond length is 2.82 Å. Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(20), one O(4), one O(5), and one O(9) atom. The Mg(1)-O(10) bond length is 2.13 Å. The Mg(1)-O(20) bond length is 2.33 Å. The Mg(1)-O(4) bond length is 1.95 Å. The Mg(1)-O(5) bond length is 1.97 Å. The Mg(1)-O(9) bond length is 2.06 Å. There are four 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(13), one O(5), and one O(6) atom. The Cu(1)-O(1) bond length is 1.97 Å. The Cu(1)-O(13) bond length is 2.00 Å. The Cu(1)-O(5) bond length is 1.98 Å. The Cu(1)-O(6) bond length is 2.09 Å. In the second Cu site, Cu(2) is bonded to one O(10), one O(2), one O(3), one O(5), and one O(6) atom to form CuO5 square pyramids that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  a cornercorner with one S(4)O4 tetrahedra. The Cu(2)-O(10) bond length is 2.08 Å. The Cu(2)-O(2) bond length is 1.96 Å. The Cu(2)-O(3) bond length is 2.21 Å. The Cu(2)-O(5) bond length is 2.06 Å. The Cu(2)-O(6) bond length is 2.13 Å. In the third Cu site, Cu(3) is bonded to one O(12), one O(15), one O(16), one O(18), one O(20), and one O(8) atom to form distorted CuO6 octahedra that share  a cornercorner with one Cu(4)O5 square pyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  an edgeedge with one Cu(4)O5 square pyramid. The Cu(3)-O(12) bond length is 2.48 Å. The Cu(3)-O(15) bond length is 1.95 Å. The Cu(3)-O(16) bond length is 1.94 Å. The Cu(3)-O(18) bond length is 2.55 Å. The Cu(3)-O(20) bond length is 2.35 Å. The Cu(3)-O(8) bond length is 2.20 Å. In the fourth Cu site, Cu(4) is bonded to one O(11), one O(12), one O(15), one O(16), and one O(19) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. The Cu(4)-O(11) bond length is 2.09 Å. The Cu(4)-O(12) bond length is 2.48 Å. The Cu(4)-O(15) bond length is 1.98 Å. The Cu(4)-O(16) bond length is 1.95 Å. The Cu(4)-O(19) bond length is 2.09 Å. There are five 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 1.01 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 0.99 Å. In the third H site, H(3) is bonded in a linear geometry to one O(15) and one O(6) atom. The H(3)-O(15) bond length is 1.56 Å. The H(3)-O(6) bond length is 1.05 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(15) atom. The H(4)-O(15) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(16) atom. The H(5)-O(16) bond length is 0.98 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, and  a cornercorner with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 52°. The S(1)-O(11) bond length is 1.50 Å. The S(1)-O(3) bond length is 1.48 Å. The S(1)-O(4) bond length is 1.51 Å. The S(1)-O(8) bond length is 1.49 Å. In the second S site, S(2) is bonded to one O(19), one O(20), one O(7), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and  a cornercorner with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 57°. The S(2)-O(19) bond length is 1.49 Å. The S(2)-O(20) bond length is 1.53 Å. The S(2)-O(7) bond length is 1.46 Å. The S(2)-O(9) bond length is 1.52 Å. In the third S site, S(3) is bonded to one O(1), one O(12), one O(14), and one O(2) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, and  a cornercorner with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. The S(3)-O(1) bond length is 1.51 Å. The S(3)-O(12) bond length is 1.49 Å. The S(3)-O(14) bond length is 1.47 Å. The S(3)-O(2) bond length is 1.51 Å. In the fourth S site, S(4) is bonded to one O(10), one O(13), one O(17), and one O(18) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(3)O6 octahedra and  a cornercorner with one Cu(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 27°. The S(4)-O(10) bond length is 1.55 Å. The S(4)-O(13) bond length is 1.51 Å. The S(4)-O(17) bond length is 1.46 Å. The S(4)-O(18) bond length is 1.47 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(1), and one S(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(2), and one S(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), one Mg(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Mg(1), one Cu(1), one Cu(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like 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 single-bond geometry to one Rb(1), one Rb(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(3), and one S(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Rb(2), one Mg(1), and one S(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Rb(2), one Mg(1), one Cu(2), and one S(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(4), and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Rb(2), one Cu(3), one Cu(4), and one S(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(1), and one S(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one S(3) atom. In the fifteenth O site, O(15) is bonded in a distorted tetrahedral geometry to one Cu(3), one Cu(4), one H(3), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(4), and one H(5) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one S(4) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(3), and one S(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(4), and one S(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Rb(1), one Mg(1), one Cu(3), and one S(2) atom.