The structure described by CuH4(O4I)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 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 distorted linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cu(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cu(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one H(2) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH4(IO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.885
_cell_length_b   6.720
_cell_length_c   11.337
_cell_angle_alpha   75.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.546
_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  0.409  0.822  0.926  1.0
  H  H3  1  0.091  0.822  0.426  1.0
  H  H4  1  0.234  0.659  0.540  1.0
  H  H5  1  0.734  0.341  0.960  1.0
  H  H6  1  0.266  0.659  0.040  1.0
  H  H7  1  0.766  0.341  0.460  1.0
  H  H8  1  0.909  0.178  0.574  1.0
  H  H9  1  0.591  0.178  0.074  1.0
  I  I10  1  0.861  0.740  0.768  1.0
  I  I11  1  0.639  0.740  0.268  1.0
  I  I12  1  0.361  0.260  0.732  1.0
  I  I13  1  0.139  0.260  0.232  1.0
  O  O14  1  0.688  0.929  0.836  1.0
  O  O15  1  0.228  0.776  0.967  1.0
  O  O16  1  0.812  0.929  0.336  1.0
  O  O17  1  0.710  0.791  0.615  1.0
  O  O18  1  0.272  0.776  0.467  1.0
  O  O19  1  0.651  0.517  0.841  1.0
  O  O20  1  0.790  0.791  0.115  1.0
  O  O21  1  0.151  0.483  0.659  1.0
  O  O22  1  0.849  0.517  0.341  1.0
  O  O23  1  0.210  0.209  0.885  1.0
  O  O24  1  0.349  0.483  0.159  1.0
  O  O25  1  0.728  0.224  0.533  1.0
  O  O26  1  0.290  0.209  0.385  1.0
  O  O27  1  0.188  0.071  0.664  1.0
  O  O28  1  0.772  0.224  0.033  1.0
  O  O29  1  0.312  0.071  0.164  1.0
[/CIF]
.
The structure described by CuH4(O4I)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 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 distorted linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cu(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cu(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one H(2) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH4(IO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.885
_cell_length_b   6.720
_cell_length_c   11.337
_cell_angle_alpha   75.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.546
_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  0.409  0.822  0.926  1.0
  H  H3  1  0.091  0.822  0.426  1.0
  H  H4  1  0.234  0.659  0.540  1.0
  H  H5  1  0.734  0.341  0.960  1.0
  H  H6  1  0.266  0.659  0.040  1.0
  H  H7  1  0.766  0.341  0.460  1.0
  H  H8  1  0.909  0.178  0.574  1.0
  H  H9  1  0.591  0.178  0.074  1.0
  I  I10  1  0.861  0.740  0.768  1.0
  I  I11  1  0.639  0.740  0.268  1.0
  I  I12  1  0.361  0.260  0.732  1.0
  I  I13  1  0.139  0.260  0.232  1.0
  O  O14  1  0.688  0.929  0.836  1.0
  O  O15  1  0.228  0.776  0.967  1.0
  O  O16  1  0.812  0.929  0.336  1.0
  O  O17  1  0.710  0.791  0.615  1.0
  O  O18  1  0.272  0.776  0.467  1.0
  O  O19  1  0.651  0.517  0.841  1.0
  O  O20  1  0.790  0.791  0.115  1.0
  O  O21  1  0.151  0.483  0.659  1.0
  O  O22  1  0.849  0.517  0.341  1.0
  O  O23  1  0.210  0.209  0.885  1.0
  O  O24  1  0.349  0.483  0.159  1.0
  O  O25  1  0.728  0.224  0.533  1.0
  O  O26  1  0.290  0.209  0.385  1.0
  O  O27  1  0.188  0.071  0.664  1.0
  O  O28  1  0.772  0.224  0.033  1.0
  O  O29  1  0.312  0.071  0.164  1.0
[/CIF]
.