The material structure described by 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 8-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 one O(4) atom. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(17), one O(4), one O(7), and one O(8) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(17), one O(4), and one O(7) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(13), one O(3), one O(5), one O(6), and one O(9) atom to form CuO6 octahedra that share  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  a cornercorner with one S(4)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. In the third Cu site, Cu(3) is bonded to one O(12), one O(15), one O(16), one O(20), and one O(8) atom to form distorted CuO5 square pyramids that share  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 Cu(4)O5 trigonal bipyramid, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. 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 trigonal bipyramids that share  a cornercorner with one Cu(3)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, and  an edgeedge with one Cu(3)O5 square pyramid. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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(1)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 29°. 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(1)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. 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(1)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. 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(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. 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 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 distorted single-bond geometry to one Rb(1), one Cu(1), one Cu(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like 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 trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond 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 bent 120 degrees geometry to one Rb(2), one Mg(1), 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 1-coordinate geometry to one Cu(1), one Cu(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(2), and one S(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(4), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate 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 Mg(1), 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) and one S(3) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like 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 1-coordinate geometry to one Rb(1), one Rb(2), one Mg(1), and one S(4) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Rb(1) and one S(4) atom. In the nineteenth O site, O(19) is bonded in a 2-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 3-coordinate geometry to one Rb(1), one Cu(3), and one S(2) atom. is represented by the CIF card [CIF]
data_Rb2MgCu4H5(SO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.083
_cell_length_b   6.505
_cell_length_c   8.558
_cell_angle_alpha   92.093
_cell_angle_beta   68.659
_cell_angle_gamma   56.715
_symmetry_Int_Tables_number   1
_cell_volume   457.796
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Rb  Rb0  1  0.998  0.504  0.487  1.0
  Rb  Rb1  1  0.522  0.361  0.505  1.0
  Mg  Mg2  1  0.383  0.947  0.558  1.0
  Cu  Cu3  1  0.240  0.998  0.002  1.0
  Cu  Cu4  1  0.246  0.493  0.007  1.0
  Cu  Cu5  1  0.783  0.980  0.967  1.0
  Cu  Cu6  1  0.763  0.491  0.024  1.0
  H  H7  1  0.054  0.440  0.973  1.0
  H  H8  1  0.306  0.702  0.177  1.0
  H  H9  1  0.537  0.459  0.979  1.0
  H  H10  1  0.710  0.326  0.804  1.0
  H  H11  1  0.826  0.731  0.163  1.0
  S  S12  1  0.433  0.079  0.258  1.0
  S  S13  1  0.091  0.941  0.735  1.0
  S  S14  1  0.927  0.068  0.272  1.0
  S  S15  1  0.563  0.904  0.721  1.0
  O  O16  1  0.037  0.149  0.224  1.0
  O  O17  1  0.027  0.776  0.218  1.0
  O  O18  1  0.331  0.136  0.171  1.0
  O  O19  1  0.325  0.231  0.453  1.0
  O  O20  1  0.173  0.315  0.936  1.0
  O  O21  1  0.348  0.648  0.049  1.0
  O  O22  1  0.231  0.863  0.558  1.0
  O  O23  1  0.543  0.150  0.184  1.0
  O  O24  1  0.164  0.825  0.851  1.0
  O  O25  1  0.480  0.180  0.809  1.0
  O  O26  1  0.524  0.798  0.259  1.0
  O  O27  1  0.822  0.173  0.182  1.0
  O  O28  1  0.440  0.842  0.762  1.0
  O  O29  1  0.828  0.168  0.465  1.0
  O  O30  1  0.664  0.342  0.930  1.0
  O  O31  1  0.854  0.671  0.040  1.0
  O  O32  1  0.621  0.862  0.527  1.0
  O  O33  1  0.689  0.732  0.770  1.0
  O  O34  1  0.982  0.229  0.797  1.0
  O  O35  1  0.999  0.847  0.717  1.0
[/CIF]
.
The material structure described by 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 8-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 one O(4) atom. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(17), one O(4), one O(7), and one O(8) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(17), one O(4), and one O(7) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(13), one O(3), one O(5), one O(6), and one O(9) atom to form CuO6 octahedra that share  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  a cornercorner with one S(4)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. In the third Cu site, Cu(3) is bonded to one O(12), one O(15), one O(16), one O(20), and one O(8) atom to form distorted CuO5 square pyramids that share  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 Cu(4)O5 trigonal bipyramid, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. 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 trigonal bipyramids that share  a cornercorner with one Cu(3)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, and  an edgeedge with one Cu(3)O5 square pyramid. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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(1)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 29°. 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(1)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. 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(1)O6 octahedra,  a cornercorner with one Cu(3)O5 square pyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. 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(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. 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 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 distorted single-bond geometry to one Rb(1), one Cu(1), one Cu(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like 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 trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond 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 bent 120 degrees geometry to one Rb(2), one Mg(1), 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 1-coordinate geometry to one Cu(1), one Cu(2), and one S(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Rb(2), one Cu(2), and one S(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(4), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate 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 Mg(1), 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) and one S(3) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like 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 1-coordinate geometry to one Rb(1), one Rb(2), one Mg(1), and one S(4) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Rb(1) and one S(4) atom. In the nineteenth O site, O(19) is bonded in a 2-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 3-coordinate geometry to one Rb(1), one Cu(3), and one S(2) atom. is represented by the CIF card [CIF]
data_Rb2MgCu4H5(SO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.083
_cell_length_b   6.505
_cell_length_c   8.558
_cell_angle_alpha   92.093
_cell_angle_beta   68.659
_cell_angle_gamma   56.715
_symmetry_Int_Tables_number   1
_cell_volume   457.796
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Rb  Rb0  1  0.998  0.504  0.487  1.0
  Rb  Rb1  1  0.522  0.361  0.505  1.0
  Mg  Mg2  1  0.383  0.947  0.558  1.0
  Cu  Cu3  1  0.240  0.998  0.002  1.0
  Cu  Cu4  1  0.246  0.493  0.007  1.0
  Cu  Cu5  1  0.783  0.980  0.967  1.0
  Cu  Cu6  1  0.763  0.491  0.024  1.0
  H  H7  1  0.054  0.440  0.973  1.0
  H  H8  1  0.306  0.702  0.177  1.0
  H  H9  1  0.537  0.459  0.979  1.0
  H  H10  1  0.710  0.326  0.804  1.0
  H  H11  1  0.826  0.731  0.163  1.0
  S  S12  1  0.433  0.079  0.258  1.0
  S  S13  1  0.091  0.941  0.735  1.0
  S  S14  1  0.927  0.068  0.272  1.0
  S  S15  1  0.563  0.904  0.721  1.0
  O  O16  1  0.037  0.149  0.224  1.0
  O  O17  1  0.027  0.776  0.218  1.0
  O  O18  1  0.331  0.136  0.171  1.0
  O  O19  1  0.325  0.231  0.453  1.0
  O  O20  1  0.173  0.315  0.936  1.0
  O  O21  1  0.348  0.648  0.049  1.0
  O  O22  1  0.231  0.863  0.558  1.0
  O  O23  1  0.543  0.150  0.184  1.0
  O  O24  1  0.164  0.825  0.851  1.0
  O  O25  1  0.480  0.180  0.809  1.0
  O  O26  1  0.524  0.798  0.259  1.0
  O  O27  1  0.822  0.173  0.182  1.0
  O  O28  1  0.440  0.842  0.762  1.0
  O  O29  1  0.828  0.168  0.465  1.0
  O  O30  1  0.664  0.342  0.930  1.0
  O  O31  1  0.854  0.671  0.040  1.0
  O  O32  1  0.621  0.862  0.527  1.0
  O  O33  1  0.689  0.732  0.770  1.0
  O  O34  1  0.982  0.229  0.797  1.0
  O  O35  1  0.999  0.847  0.717  1.0
[/CIF]
.