The material described by Cu(OH)IO3 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing CuO6 octahedra. H(1) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cu(1) and one I(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Cu(1) and one H(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. is represented by the CIF card [CIF]
data_CuHIO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.898
_cell_length_b   6.804
_cell_length_c   10.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.144
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.895  0.250  0.516  1.0
  H  H5  1  0.605  0.250  0.016  1.0
  H  H6  1  0.105  0.750  0.484  1.0
  H  H7  1  0.395  0.750  0.984  1.0
  I  I8  1  0.507  0.250  0.745  1.0
  I  I9  1  0.993  0.250  0.245  1.0
  I  I10  1  0.493  0.750  0.255  1.0
  I  I11  1  0.007  0.750  0.755  1.0
  O  O12  1  0.305  0.250  0.887  1.0
  O  O13  1  0.195  0.250  0.387  1.0
  O  O14  1  0.695  0.750  0.113  1.0
  O  O15  1  0.805  0.750  0.613  1.0
  O  O16  1  0.317  0.048  0.662  1.0
  O  O17  1  0.183  0.452  0.162  1.0
  O  O18  1  0.683  0.548  0.338  1.0
  O  O19  1  0.817  0.952  0.838  1.0
  O  O20  1  0.683  0.952  0.338  1.0
  O  O21  1  0.817  0.548  0.838  1.0
  O  O22  1  0.317  0.452  0.662  1.0
  O  O23  1  0.183  0.048  0.162  1.0
  O  O24  1  0.695  0.250  0.535  1.0
  O  O25  1  0.805  0.250  0.035  1.0
  O  O26  1  0.305  0.750  0.465  1.0
  O  O27  1  0.195  0.750  0.965  1.0
[/CIF]
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The material described by Cu(OH)IO3 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing CuO6 octahedra. H(1) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cu(1) and one I(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Cu(1) and one H(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. is represented by the CIF card [CIF]
data_CuHIO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.898
_cell_length_b   6.804
_cell_length_c   10.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.144
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.895  0.250  0.516  1.0
  H  H5  1  0.605  0.250  0.016  1.0
  H  H6  1  0.105  0.750  0.484  1.0
  H  H7  1  0.395  0.750  0.984  1.0
  I  I8  1  0.507  0.250  0.745  1.0
  I  I9  1  0.993  0.250  0.245  1.0
  I  I10  1  0.493  0.750  0.255  1.0
  I  I11  1  0.007  0.750  0.755  1.0
  O  O12  1  0.305  0.250  0.887  1.0
  O  O13  1  0.195  0.250  0.387  1.0
  O  O14  1  0.695  0.750  0.113  1.0
  O  O15  1  0.805  0.750  0.613  1.0
  O  O16  1  0.317  0.048  0.662  1.0
  O  O17  1  0.183  0.452  0.162  1.0
  O  O18  1  0.683  0.548  0.338  1.0
  O  O19  1  0.817  0.952  0.838  1.0
  O  O20  1  0.683  0.952  0.338  1.0
  O  O21  1  0.817  0.548  0.838  1.0
  O  O22  1  0.317  0.452  0.662  1.0
  O  O23  1  0.183  0.048  0.162  1.0
  O  O24  1  0.695  0.250  0.535  1.0
  O  O25  1  0.805  0.250  0.035  1.0
  O  O26  1  0.305  0.750  0.465  1.0
  O  O27  1  0.195  0.750  0.965  1.0
[/CIF]
.