The structure described by RbCu2H3(SO5)2 crystallizes in the monoclinic Cm space group. Rb(1) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form distorted RbO8 hexagonal bipyramids that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, edges with four equivalent Cu(1)O6 octahedra,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one S(2)O4 tetrahedra. Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, edges with two equivalent Rb(1)O8 hexagonal bipyramids, and edges with two equivalent Cu(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(5), one O(7), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Rb(1)O8 hexagonal bipyramids, corners with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Rb(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 43-48°. In the second S site, S(2) is bonded to one O(6), one O(8), and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Rb(1)O8 hexagonal bipyramids, corners with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Rb(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. There are eight 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(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(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Cu(1), one H(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to two equivalent Cu(1), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Cu(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Cu(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Rb(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Rb(1) and one S(2) atom. is represented by the CIF card [CIF]
data_RbCu2H3(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.655
_cell_length_c   8.011
_cell_angle_alpha   67.292
_cell_angle_beta   67.292
_cell_angle_gamma   70.483
_symmetry_Int_Tables_number   1
_cell_volume   212.765
_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  0.501  0.501  0.500  1.0
  Cu  Cu1  1  0.497  0.995  0.995  1.0
  Cu  Cu2  1  0.995  0.497  0.995  1.0
  H  H3  1  0.299  0.299  0.215  1.0
  H  H4  1  0.699  0.699  0.794  1.0
  H  H5  1  0.474  0.474  0.017  1.0
  S  S6  1  0.928  0.928  0.277  1.0
  S  S7  1  0.072  0.072  0.722  1.0
  O  O8  1  0.846  0.226  0.220  1.0
  O  O9  1  0.226  0.846  0.220  1.0
  O  O10  1  0.155  0.775  0.780  1.0
  O  O11  1  0.775  0.155  0.780  1.0
  O  O12  1  0.345  0.345  0.076  1.0
  O  O13  1  0.659  0.659  0.932  1.0
  O  O14  1  0.823  0.823  0.183  1.0
  O  O15  1  0.177  0.177  0.816  1.0
  O  O16  1  0.829  0.829  0.484  1.0
  O  O17  1  0.172  0.172  0.515  1.0
[/CIF]
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The structure described by RbCu2H3(SO5)2 crystallizes in the monoclinic Cm space group. Rb(1) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form distorted RbO8 hexagonal bipyramids that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, edges with four equivalent Cu(1)O6 octahedra,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one S(2)O4 tetrahedra. Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, edges with two equivalent Rb(1)O8 hexagonal bipyramids, and edges with two equivalent Cu(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(5), one O(7), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Rb(1)O8 hexagonal bipyramids, corners with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Rb(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 43-48°. In the second S site, S(2) is bonded to one O(6), one O(8), and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Rb(1)O8 hexagonal bipyramids, corners with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Rb(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. There are eight 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(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(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Cu(1), one H(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to two equivalent Cu(1), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Cu(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Cu(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Rb(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Rb(1) and one S(2) atom. is represented by the CIF card [CIF]
data_RbCu2H3(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.655
_cell_length_c   8.011
_cell_angle_alpha   67.292
_cell_angle_beta   67.292
_cell_angle_gamma   70.483
_symmetry_Int_Tables_number   1
_cell_volume   212.765
_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  0.501  0.501  0.500  1.0
  Cu  Cu1  1  0.497  0.995  0.995  1.0
  Cu  Cu2  1  0.995  0.497  0.995  1.0
  H  H3  1  0.299  0.299  0.215  1.0
  H  H4  1  0.699  0.699  0.794  1.0
  H  H5  1  0.474  0.474  0.017  1.0
  S  S6  1  0.928  0.928  0.277  1.0
  S  S7  1  0.072  0.072  0.722  1.0
  O  O8  1  0.846  0.226  0.220  1.0
  O  O9  1  0.226  0.846  0.220  1.0
  O  O10  1  0.155  0.775  0.780  1.0
  O  O11  1  0.775  0.155  0.780  1.0
  O  O12  1  0.345  0.345  0.076  1.0
  O  O13  1  0.659  0.659  0.932  1.0
  O  O14  1  0.823  0.823  0.183  1.0
  O  O15  1  0.177  0.177  0.816  1.0
  O  O16  1  0.829  0.829  0.484  1.0
  O  O17  1  0.172  0.172  0.515  1.0
[/CIF]
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