The structure described by Fe(IO3)3 crystallizes in the hexagonal P6_3 space group. Fe(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to 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 Crystallographic Information File (CIF) [CIF]
data_Fe(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.248
_cell_length_b   9.248
_cell_length_c   5.201
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   385.176
_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
  Fe  Fe0  1  0.333  0.667  0.632  1.0
  Fe  Fe1  1  0.667  0.333  0.132  1.0
  I  I2  1  0.336  0.314  0.497  1.0
  I  I3  1  0.978  0.664  0.497  1.0
  I  I4  1  0.022  0.336  0.997  1.0
  I  I5  1  0.314  0.978  0.997  1.0
  I  I6  1  0.664  0.686  0.997  1.0
  I  I7  1  0.686  0.022  0.497  1.0
  O  O8  1  0.812  0.288  0.901  1.0
  O  O9  1  0.524  0.812  0.401  1.0
  O  O10  1  0.288  0.476  0.401  1.0
  O  O11  1  0.712  0.524  0.901  1.0
  O  O12  1  0.476  0.188  0.901  1.0
  O  O13  1  0.188  0.712  0.401  1.0
  O  O14  1  0.420  0.874  0.850  1.0
  O  O15  1  0.546  0.420  0.350  1.0
  O  O16  1  0.828  0.052  0.244  1.0
  O  O17  1  0.777  0.828  0.744  1.0
  O  O18  1  0.052  0.223  0.744  1.0
  O  O19  1  0.948  0.777  0.244  1.0
  O  O20  1  0.223  0.172  0.244  1.0
  O  O21  1  0.874  0.454  0.350  1.0
  O  O22  1  0.580  0.126  0.350  1.0
  O  O23  1  0.454  0.580  0.850  1.0
  O  O24  1  0.126  0.546  0.850  1.0
  O  O25  1  0.172  0.948  0.744  1.0
[/CIF]
.
The structure described by Fe(IO3)3 crystallizes in the hexagonal P6_3 space group. Fe(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to 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 Crystallographic Information File (CIF) [CIF]
data_Fe(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.248
_cell_length_b   9.248
_cell_length_c   5.201
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   385.176
_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
  Fe  Fe0  1  0.333  0.667  0.632  1.0
  Fe  Fe1  1  0.667  0.333  0.132  1.0
  I  I2  1  0.336  0.314  0.497  1.0
  I  I3  1  0.978  0.664  0.497  1.0
  I  I4  1  0.022  0.336  0.997  1.0
  I  I5  1  0.314  0.978  0.997  1.0
  I  I6  1  0.664  0.686  0.997  1.0
  I  I7  1  0.686  0.022  0.497  1.0
  O  O8  1  0.812  0.288  0.901  1.0
  O  O9  1  0.524  0.812  0.401  1.0
  O  O10  1  0.288  0.476  0.401  1.0
  O  O11  1  0.712  0.524  0.901  1.0
  O  O12  1  0.476  0.188  0.901  1.0
  O  O13  1  0.188  0.712  0.401  1.0
  O  O14  1  0.420  0.874  0.850  1.0
  O  O15  1  0.546  0.420  0.350  1.0
  O  O16  1  0.828  0.052  0.244  1.0
  O  O17  1  0.777  0.828  0.744  1.0
  O  O18  1  0.052  0.223  0.744  1.0
  O  O19  1  0.948  0.777  0.244  1.0
  O  O20  1  0.223  0.172  0.244  1.0
  O  O21  1  0.874  0.454  0.350  1.0
  O  O22  1  0.580  0.126  0.350  1.0
  O  O23  1  0.454  0.580  0.850  1.0
  O  O24  1  0.126  0.546  0.850  1.0
  O  O25  1  0.172  0.948  0.744  1.0
[/CIF]
.