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 9-coordinate geometry to one O(1), one O(17), one O(18), one O(19), one O(2), one O(20), one O(3), and two equivalent O(14) atoms. In the second Rb site, Rb(2) is bonded to one O(11), one O(12), one O(13), one O(14), one O(17), one O(8), and one O(9) atom to form distorted RbO7 pentagonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cu(4)O5 square pyramid,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. Mg(1) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one S(1)O4 tetrahedra. 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 in a 6-coordinate geometry to one O(10), one O(2), one O(20), one O(4), one O(5), and one O(9) atom. In the third Cu site, Cu(3) is bonded to one O(15), one O(16), one O(18), one O(20), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  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(4)O4 tetrahedra, and  an edgeedge with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 66°. In the fourth Cu site, Cu(4) is bonded to one O(11), one O(15), one O(16), one O(18), and one O(19) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. 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 distorted bent 150 degrees 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 corners with two equivalent Rb(2)O7 pentagonal bipyramids,  a cornercorner with one Cu(4)O5 square pyramid,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O6 octahedra. 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 Mg(1)O6 octahedra,  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  a cornercorner with one Cu(4)O5 square pyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 27°. 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 Mg(1)O6 octahedra and  an edgeedge with one Rb(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 56°. 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 Mg(1)O6 octahedra, corners with two equivalent Rb(2)O7 pentagonal bipyramids,  a cornercorner with one Cu(4)O5 square pyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(1), and one S(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Mg(1), one Cu(2), and one S(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(2) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Mg(1), one Cu(1), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Rb(2), one Mg(1), one Cu(3), and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Rb(2), one Cu(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(2), and one S(4) atom. In the eleventh O site, O(11) is bonded in a 2-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) 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(2), two equivalent Rb(1), 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 trigonal non-coplanar 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), one Cu(4), 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 Cu(2), 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 9-coordinate geometry to one O(1), one O(17), one O(18), one O(19), one O(2), one O(20), one O(3), and two equivalent O(14) atoms. The Rb(1)-O(1) bond length is 2.77 Å. The Rb(1)-O(17) bond length is 2.93 Å. The Rb(1)-O(18) bond length is 2.92 Å. The Rb(1)-O(19) bond length is 3.09 Å. The Rb(1)-O(2) bond length is 3.11 Å. The Rb(1)-O(20) bond length is 2.97 Å. The Rb(1)-O(3) bond length is 2.88 Å. There is one shorter (3.37 Å) and one longer (3.43 Å) Rb(1)-O(14) bond length. In the second Rb site, Rb(2) is bonded to one O(11), one O(12), one O(13), one O(14), one O(17), one O(8), and one O(9) atom to form distorted RbO7 pentagonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cu(4)O5 square pyramid,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. The Rb(2)-O(11) bond length is 3.04 Å. The Rb(2)-O(12) bond length is 2.96 Å. The Rb(2)-O(13) bond length is 2.98 Å. The Rb(2)-O(14) bond length is 2.95 Å. The Rb(2)-O(17) bond length is 3.01 Å. The Rb(2)-O(8) bond length is 3.03 Å. The Rb(2)-O(9) bond length is 2.95 Å. Mg(1) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one S(1)O4 tetrahedra. The Mg(1)-O(10) bond length is 2.19 Å. The Mg(1)-O(2) bond length is 2.03 Å. The Mg(1)-O(3) bond length is 2.06 Å. The Mg(1)-O(6) bond length is 2.06 Å. The Mg(1)-O(7) bond length is 2.15 Å. The Mg(1)-O(8) bond length is 2.24 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 1.98 Å. The Cu(1)-O(5) bond length is 1.94 Å. The Cu(1)-O(6) bond length is 2.09 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(20), one O(4), one O(5), and one O(9) atom. The Cu(2)-O(10) bond length is 2.19 Å. The Cu(2)-O(2) bond length is 2.60 Å. The Cu(2)-O(20) bond length is 2.56 Å. The Cu(2)-O(4) bond length is 2.53 Å. The Cu(2)-O(5) bond length is 1.90 Å. The Cu(2)-O(9) bond length is 1.97 Å. In the third Cu site, Cu(3) is bonded to one O(15), one O(16), one O(18), one O(20), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  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(4)O4 tetrahedra, and  an edgeedge with one Cu(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 66°. The Cu(3)-O(15) bond length is 1.95 Å. The Cu(3)-O(16) bond length is 1.88 Å. The Cu(3)-O(18) bond length is 2.42 Å. The Cu(3)-O(20) bond length is 2.26 Å. The Cu(3)-O(8) bond length is 2.45 Å. In the fourth Cu site, Cu(4) is bonded to one O(11), one O(15), one O(16), one O(18), and one O(19) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. The Cu(4)-O(11) bond length is 2.14 Å. The Cu(4)-O(15) bond length is 1.98 Å. The Cu(4)-O(16) bond length is 1.89 Å. The Cu(4)-O(18) bond length is 2.47 Å. The Cu(4)-O(19) bond length is 2.13 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 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 1.00 Å. In the third H site, H(3) is bonded in a distorted bent 150 degrees geometry to one O(15) and one O(6) atom. The H(3)-O(15) bond length is 1.50 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 0.99 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 corners with two equivalent Rb(2)O7 pentagonal bipyramids,  a cornercorner with one Cu(4)O5 square pyramid,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O6 octahedra. The S(1)-O(11) bond length is 1.51 Å. The S(1)-O(3) bond length is 1.52 Å. The S(1)-O(4) bond length is 1.46 Å. The S(1)-O(8) bond length is 1.51 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 Mg(1)O6 octahedra,  a cornercorner with one Rb(2)O7 pentagonal bipyramid,  a cornercorner with one Cu(4)O5 square pyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 27°. The S(2)-O(19) bond length is 1.50 Å. The S(2)-O(20) bond length is 1.50 Å. The S(2)-O(7) bond length is 1.48 Å. The S(2)-O(9) bond length is 1.53 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 Mg(1)O6 octahedra and  an edgeedge with one Rb(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 56°. The S(3)-O(1) bond length is 1.52 Å. The S(3)-O(12) bond length is 1.47 Å. The S(3)-O(14) bond length is 1.48 Å. The S(3)-O(2) bond length is 1.52 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 Mg(1)O6 octahedra, corners with two equivalent Rb(2)O7 pentagonal bipyramids,  a cornercorner with one Cu(4)O5 square pyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. The S(4)-O(10) bond length is 1.53 Å. The S(4)-O(13) bond length is 1.52 Å. The S(4)-O(17) bond length is 1.46 Å. The S(4)-O(18) bond length is 1.49 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(1), and one S(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Mg(1), one Cu(2), and one S(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(2) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Mg(1), one Cu(1), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Rb(2), one Mg(1), one Cu(3), and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Rb(2), one Cu(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(2), and one S(4) atom. In the eleventh O site, O(11) is bonded in a 2-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) 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(2), two equivalent Rb(1), 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 trigonal non-coplanar 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), one Cu(4), 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 Cu(2), one Cu(3), and one S(2) atom.