The crystal structure described by In(IO3)3 crystallizes in the hexagonal P6_3 space group. In(1) is bonded in an octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one I(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one In(1) and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF card [CIF]
data_In(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.604
_cell_length_b   9.603
_cell_length_c   5.232
_cell_angle_alpha   89.989
_cell_angle_beta   90.011
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   417.910
_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
  In  In0  1  0.667  0.333  0.696  1.0
  In  In1  1  0.333  0.667  0.196  1.0
  I  I2  1  0.684  0.020  0.327  1.0
  I  I3  1  0.316  0.980  0.827  1.0
  I  I4  1  0.020  0.336  0.827  1.0
  I  I5  1  0.336  0.316  0.327  1.0
  I  I6  1  0.980  0.664  0.327  1.0
  I  I7  1  0.664  0.684  0.827  1.0
  O  O8  1  0.768  0.830  0.069  1.0
  O  O9  1  0.939  0.768  0.570  1.0
  O  O10  1  0.830  0.061  0.569  1.0
  O  O11  1  0.170  0.939  0.069  1.0
  O  O12  1  0.061  0.231  0.069  1.0
  O  O13  1  0.232  0.170  0.569  1.0
  O  O14  1  0.714  0.534  0.937  1.0
  O  O15  1  0.181  0.714  0.437  1.0
  O  O16  1  0.540  0.420  0.467  1.0
  O  O17  1  0.119  0.540  0.967  1.0
  O  O18  1  0.420  0.881  0.967  1.0
  O  O19  1  0.580  0.119  0.467  1.0
  O  O20  1  0.880  0.460  0.467  1.0
  O  O21  1  0.460  0.580  0.967  1.0
  O  O22  1  0.286  0.466  0.437  1.0
  O  O23  1  0.819  0.286  0.937  1.0
  O  O24  1  0.466  0.181  0.937  1.0
  O  O25  1  0.534  0.819  0.437  1.0
[/CIF]
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The crystal structure described by In(IO3)3 crystallizes in the hexagonal P6_3 space group. In(1) is bonded in an octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one I(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one In(1) and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF card [CIF]
data_In(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.604
_cell_length_b   9.603
_cell_length_c   5.232
_cell_angle_alpha   89.989
_cell_angle_beta   90.011
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   417.910
_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
  In  In0  1  0.667  0.333  0.696  1.0
  In  In1  1  0.333  0.667  0.196  1.0
  I  I2  1  0.684  0.020  0.327  1.0
  I  I3  1  0.316  0.980  0.827  1.0
  I  I4  1  0.020  0.336  0.827  1.0
  I  I5  1  0.336  0.316  0.327  1.0
  I  I6  1  0.980  0.664  0.327  1.0
  I  I7  1  0.664  0.684  0.827  1.0
  O  O8  1  0.768  0.830  0.069  1.0
  O  O9  1  0.939  0.768  0.570  1.0
  O  O10  1  0.830  0.061  0.569  1.0
  O  O11  1  0.170  0.939  0.069  1.0
  O  O12  1  0.061  0.231  0.069  1.0
  O  O13  1  0.232  0.170  0.569  1.0
  O  O14  1  0.714  0.534  0.937  1.0
  O  O15  1  0.181  0.714  0.437  1.0
  O  O16  1  0.540  0.420  0.467  1.0
  O  O17  1  0.119  0.540  0.967  1.0
  O  O18  1  0.420  0.881  0.967  1.0
  O  O19  1  0.580  0.119  0.467  1.0
  O  O20  1  0.880  0.460  0.467  1.0
  O  O21  1  0.460  0.580  0.967  1.0
  O  O22  1  0.286  0.466  0.437  1.0
  O  O23  1  0.819  0.286  0.937  1.0
  O  O24  1  0.466  0.181  0.937  1.0
  O  O25  1  0.534  0.819  0.437  1.0
[/CIF]
.