The material structure described by IO3 crystallizes in the orthorhombic P2_12_12_1 space group. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to two equivalent I(1) atoms. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent I(1) atoms. I(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing IO6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_IO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   5.211
_cell_length_c   8.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.865
_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
  I  I0  1  0.761  0.316  0.337  1.0
  I  I1  1  0.739  0.684  0.837  1.0
  I  I2  1  0.261  0.184  0.663  1.0
  I  I3  1  0.239  0.816  0.163  1.0
  O  O4  1  0.996  0.954  0.310  1.0
  O  O5  1  0.504  0.046  0.810  1.0
  O  O6  1  0.496  0.546  0.690  1.0
  O  O7  1  0.004  0.454  0.190  1.0
  O  O8  1  0.521  0.594  0.348  1.0
  O  O9  1  0.979  0.406  0.848  1.0
  O  O10  1  0.021  0.906  0.652  1.0
  O  O11  1  0.479  0.094  0.152  1.0
  O  O12  1  0.518  0.598  0.010  1.0
  O  O13  1  0.982  0.402  0.510  1.0
  O  O14  1  0.018  0.902  0.990  1.0
  O  O15  1  0.482  0.098  0.490  1.0
[/CIF]
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The material structure described by IO3 crystallizes in the orthorhombic P2_12_12_1 space group. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to two equivalent I(1) atoms. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent I(1) atoms. I(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing IO6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_IO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   5.211
_cell_length_c   8.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.865
_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
  I  I0  1  0.761  0.316  0.337  1.0
  I  I1  1  0.739  0.684  0.837  1.0
  I  I2  1  0.261  0.184  0.663  1.0
  I  I3  1  0.239  0.816  0.163  1.0
  O  O4  1  0.996  0.954  0.310  1.0
  O  O5  1  0.504  0.046  0.810  1.0
  O  O6  1  0.496  0.546  0.690  1.0
  O  O7  1  0.004  0.454  0.190  1.0
  O  O8  1  0.521  0.594  0.348  1.0
  O  O9  1  0.979  0.406  0.848  1.0
  O  O10  1  0.021  0.906  0.652  1.0
  O  O11  1  0.479  0.094  0.152  1.0
  O  O12  1  0.518  0.598  0.010  1.0
  O  O13  1  0.982  0.402  0.510  1.0
  O  O14  1  0.018  0.902  0.990  1.0
  O  O15  1  0.482  0.098  0.490  1.0
[/CIF]
.