The material described by CuH6(SeO4)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Cu(1), one H(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CuH6(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.334
_cell_length_b   6.406
_cell_length_c   9.189
_cell_angle_alpha   88.744
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.741
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.718  0.430  0.661  1.0
  H  H3  1  0.218  0.570  0.839  1.0
  H  H4  1  0.282  0.570  0.339  1.0
  H  H5  1  0.782  0.430  0.161  1.0
  H  H6  1  0.209  0.642  0.569  1.0
  H  H7  1  0.709  0.358  0.931  1.0
  H  H8  1  0.791  0.358  0.431  1.0
  H  H9  1  0.291  0.642  0.069  1.0
  H  H10  1  0.068  0.774  0.459  1.0
  H  H11  1  0.568  0.226  0.041  1.0
  H  H12  1  0.932  0.226  0.541  1.0
  H  H13  1  0.432  0.774  0.959  1.0
  Se  Se14  1  0.773  0.768  0.743  1.0
  Se  Se15  1  0.273  0.232  0.757  1.0
  Se  Se16  1  0.227  0.232  0.257  1.0
  Se  Se17  1  0.727  0.768  0.243  1.0
  O  O18  1  0.211  0.717  0.474  1.0
  O  O19  1  0.711  0.283  0.026  1.0
  O  O20  1  0.789  0.283  0.526  1.0
  O  O21  1  0.289  0.717  0.974  1.0
  O  O22  1  0.547  0.905  0.701  1.0
  O  O23  1  0.047  0.095  0.799  1.0
  O  O24  1  0.453  0.095  0.299  1.0
  O  O25  1  0.953  0.905  0.201  1.0
  O  O26  1  0.779  0.799  0.928  1.0
  O  O27  1  0.279  0.201  0.572  1.0
  O  O28  1  0.221  0.201  0.072  1.0
  O  O29  1  0.721  0.799  0.428  1.0
  O  O30  1  0.666  0.505  0.751  1.0
  O  O31  1  0.166  0.495  0.749  1.0
  O  O32  1  0.334  0.495  0.249  1.0
  O  O33  1  0.834  0.505  0.251  1.0
[/CIF]
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The material described by CuH6(SeO4)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Cu(1), one H(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CuH6(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.334
_cell_length_b   6.406
_cell_length_c   9.189
_cell_angle_alpha   88.744
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.741
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.718  0.430  0.661  1.0
  H  H3  1  0.218  0.570  0.839  1.0
  H  H4  1  0.282  0.570  0.339  1.0
  H  H5  1  0.782  0.430  0.161  1.0
  H  H6  1  0.209  0.642  0.569  1.0
  H  H7  1  0.709  0.358  0.931  1.0
  H  H8  1  0.791  0.358  0.431  1.0
  H  H9  1  0.291  0.642  0.069  1.0
  H  H10  1  0.068  0.774  0.459  1.0
  H  H11  1  0.568  0.226  0.041  1.0
  H  H12  1  0.932  0.226  0.541  1.0
  H  H13  1  0.432  0.774  0.959  1.0
  Se  Se14  1  0.773  0.768  0.743  1.0
  Se  Se15  1  0.273  0.232  0.757  1.0
  Se  Se16  1  0.227  0.232  0.257  1.0
  Se  Se17  1  0.727  0.768  0.243  1.0
  O  O18  1  0.211  0.717  0.474  1.0
  O  O19  1  0.711  0.283  0.026  1.0
  O  O20  1  0.789  0.283  0.526  1.0
  O  O21  1  0.289  0.717  0.974  1.0
  O  O22  1  0.547  0.905  0.701  1.0
  O  O23  1  0.047  0.095  0.799  1.0
  O  O24  1  0.453  0.095  0.299  1.0
  O  O25  1  0.953  0.905  0.201  1.0
  O  O26  1  0.779  0.799  0.928  1.0
  O  O27  1  0.279  0.201  0.572  1.0
  O  O28  1  0.221  0.201  0.072  1.0
  O  O29  1  0.721  0.799  0.428  1.0
  O  O30  1  0.666  0.505  0.751  1.0
  O  O31  1  0.166  0.495  0.749  1.0
  O  O32  1  0.334  0.495  0.249  1.0
  O  O33  1  0.834  0.505  0.251  1.0
[/CIF]
.