The material described by CuH4SeO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded in a square pyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one H(2), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Cu(1), one H(1), and one H(2) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one H(3), and one H(4) atom. In the fourth O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one H(4), and one Se(1) atom. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one H(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_CuH4SeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   7.490
_cell_length_c   9.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.450
_cell_formula_units_Z   4
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  0.771  0.033  0.399  1.0
  Cu  Cu1  1  0.229  0.533  0.101  1.0
  Cu  Cu2  1  0.271  0.467  0.601  1.0
  Cu  Cu3  1  0.729  0.967  0.899  1.0
  H  H4  1  0.684  0.370  0.462  1.0
  H  H5  1  0.316  0.870  0.038  1.0
  H  H6  1  0.184  0.130  0.538  1.0
  H  H7  1  0.816  0.630  0.962  1.0
  H  H8  1  0.871  0.307  0.558  1.0
  H  H9  1  0.129  0.807  0.942  1.0
  H  H10  1  0.371  0.193  0.442  1.0
  H  H11  1  0.629  0.693  0.058  1.0
  H  H12  1  0.014  0.945  0.153  1.0
  H  H13  1  0.986  0.445  0.347  1.0
  H  H14  1  0.514  0.555  0.847  1.0
  H  H15  1  0.486  0.055  0.653  1.0
  H  H16  1  0.075  0.142  0.183  1.0
  H  H17  1  0.925  0.642  0.317  1.0
  H  H18  1  0.575  0.358  0.817  1.0
  H  H19  1  0.425  0.858  0.683  1.0
  Se  Se20  1  0.479  0.704  0.361  1.0
  Se  Se21  1  0.521  0.204  0.139  1.0
  Se  Se22  1  0.979  0.796  0.639  1.0
  Se  Se23  1  0.021  0.296  0.861  1.0
  O  O24  1  0.726  0.777  0.361  1.0
  O  O25  1  0.274  0.277  0.139  1.0
  O  O26  1  0.226  0.723  0.639  1.0
  O  O27  1  0.774  0.223  0.861  1.0
  O  O28  1  0.499  0.517  0.471  1.0
  O  O29  1  0.501  0.017  0.029  1.0
  O  O30  1  0.999  0.983  0.529  1.0
  O  O31  1  0.001  0.483  0.971  1.0
  O  O32  1  0.485  0.603  0.191  1.0
  O  O33  1  0.515  0.103  0.309  1.0
  O  O34  1  0.985  0.897  0.809  1.0
  O  O35  1  0.015  0.397  0.691  1.0
  O  O36  1  0.805  0.289  0.463  1.0
  O  O37  1  0.195  0.789  0.037  1.0
  O  O38  1  0.305  0.211  0.537  1.0
  O  O39  1  0.695  0.711  0.963  1.0
  O  O40  1  0.958  0.059  0.190  1.0
  O  O41  1  0.042  0.559  0.310  1.0
  O  O42  1  0.458  0.441  0.810  1.0
  O  O43  1  0.542  0.941  0.690  1.0
[/CIF]
.
The material described by CuH4SeO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded in a square pyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one H(2), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Cu(1), one H(1), and one H(2) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one H(3), and one H(4) atom. In the fourth O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one H(4), and one Se(1) atom. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one H(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_CuH4SeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   7.490
_cell_length_c   9.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.450
_cell_formula_units_Z   4
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  0.771  0.033  0.399  1.0
  Cu  Cu1  1  0.229  0.533  0.101  1.0
  Cu  Cu2  1  0.271  0.467  0.601  1.0
  Cu  Cu3  1  0.729  0.967  0.899  1.0
  H  H4  1  0.684  0.370  0.462  1.0
  H  H5  1  0.316  0.870  0.038  1.0
  H  H6  1  0.184  0.130  0.538  1.0
  H  H7  1  0.816  0.630  0.962  1.0
  H  H8  1  0.871  0.307  0.558  1.0
  H  H9  1  0.129  0.807  0.942  1.0
  H  H10  1  0.371  0.193  0.442  1.0
  H  H11  1  0.629  0.693  0.058  1.0
  H  H12  1  0.014  0.945  0.153  1.0
  H  H13  1  0.986  0.445  0.347  1.0
  H  H14  1  0.514  0.555  0.847  1.0
  H  H15  1  0.486  0.055  0.653  1.0
  H  H16  1  0.075  0.142  0.183  1.0
  H  H17  1  0.925  0.642  0.317  1.0
  H  H18  1  0.575  0.358  0.817  1.0
  H  H19  1  0.425  0.858  0.683  1.0
  Se  Se20  1  0.479  0.704  0.361  1.0
  Se  Se21  1  0.521  0.204  0.139  1.0
  Se  Se22  1  0.979  0.796  0.639  1.0
  Se  Se23  1  0.021  0.296  0.861  1.0
  O  O24  1  0.726  0.777  0.361  1.0
  O  O25  1  0.274  0.277  0.139  1.0
  O  O26  1  0.226  0.723  0.639  1.0
  O  O27  1  0.774  0.223  0.861  1.0
  O  O28  1  0.499  0.517  0.471  1.0
  O  O29  1  0.501  0.017  0.029  1.0
  O  O30  1  0.999  0.983  0.529  1.0
  O  O31  1  0.001  0.483  0.971  1.0
  O  O32  1  0.485  0.603  0.191  1.0
  O  O33  1  0.515  0.103  0.309  1.0
  O  O34  1  0.985  0.897  0.809  1.0
  O  O35  1  0.015  0.397  0.691  1.0
  O  O36  1  0.805  0.289  0.463  1.0
  O  O37  1  0.195  0.789  0.037  1.0
  O  O38  1  0.305  0.211  0.537  1.0
  O  O39  1  0.695  0.711  0.963  1.0
  O  O40  1  0.958  0.059  0.190  1.0
  O  O41  1  0.042  0.559  0.310  1.0
  O  O42  1  0.458  0.441  0.810  1.0
  O  O43  1  0.542  0.941  0.690  1.0
[/CIF]
.