The crystal structure described by RbCu2H3(SeO5)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms to form distorted RbO8 hexagonal bipyramids that share corners with four equivalent Se(1)O4 tetrahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with two equivalent Se(1)O4 tetrahedra. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra, edges with two equivalent Rb(1)O8 hexagonal bipyramids, and edges with two equivalent Cu(1)O6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. Se(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form SeO4 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 47-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Cu(1), and one Se(1) atom. In the second O site, O(2) is bonded to two equivalent Cu(1), one H(1), and one H(2) atom to form distorted corner-sharing OCu2H2 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_RbCu2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.746
_cell_length_c   8.174
_cell_angle_alpha   68.065
_cell_angle_beta   68.065
_cell_angle_gamma   71.071
_symmetry_Int_Tables_number   1
_cell_volume   226.807
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  H  H3  1  0.806  0.806  0.702  1.0
  H  H4  1  0.194  0.194  0.298  1.0
  H  H5  1  0.000  0.000  0.500  1.0
  Se  Se6  1  0.571  0.571  0.224  1.0
  Se  Se7  1  0.429  0.429  0.776  1.0
  O  O8  1  0.687  0.687  0.331  1.0
  O  O9  1  0.313  0.313  0.669  1.0
  O  O10  1  0.851  0.851  0.566  1.0
  O  O11  1  0.149  0.149  0.434  1.0
  O  O12  1  0.320  0.320  0.001  1.0
  O  O13  1  0.680  0.680  0.999  1.0
  O  O14  1  0.665  0.245  0.285  1.0
  O  O15  1  0.335  0.755  0.715  1.0
  O  O16  1  0.755  0.335  0.715  1.0
  O  O17  1  0.245  0.665  0.285  1.0
[/CIF]
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The crystal structure described by RbCu2H3(SeO5)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms to form distorted RbO8 hexagonal bipyramids that share corners with four equivalent Se(1)O4 tetrahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with two equivalent Se(1)O4 tetrahedra. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra, edges with two equivalent Rb(1)O8 hexagonal bipyramids, and edges with two equivalent Cu(1)O6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. Se(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form SeO4 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 47-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Cu(1), and one Se(1) atom. In the second O site, O(2) is bonded to two equivalent Cu(1), one H(1), and one H(2) atom to form distorted corner-sharing OCu2H2 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_RbCu2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.746
_cell_length_c   8.174
_cell_angle_alpha   68.065
_cell_angle_beta   68.065
_cell_angle_gamma   71.071
_symmetry_Int_Tables_number   1
_cell_volume   226.807
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  H  H3  1  0.806  0.806  0.702  1.0
  H  H4  1  0.194  0.194  0.298  1.0
  H  H5  1  0.000  0.000  0.500  1.0
  Se  Se6  1  0.571  0.571  0.224  1.0
  Se  Se7  1  0.429  0.429  0.776  1.0
  O  O8  1  0.687  0.687  0.331  1.0
  O  O9  1  0.313  0.313  0.669  1.0
  O  O10  1  0.851  0.851  0.566  1.0
  O  O11  1  0.149  0.149  0.434  1.0
  O  O12  1  0.320  0.320  0.001  1.0
  O  O13  1  0.680  0.680  0.999  1.0
  O  O14  1  0.665  0.245  0.285  1.0
  O  O15  1  0.335  0.755  0.715  1.0
  O  O16  1  0.755  0.335  0.715  1.0
  O  O17  1  0.245  0.665  0.285  1.0
[/CIF]
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