The compound described by NaIO3 crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one I(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one I(1) atom. I(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_NaIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.566
_cell_length_b   7.421
_cell_length_c   8.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.251
_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
  Na  Na0  1  0.997  0.486  0.496  1.0
  Na  Na1  1  0.497  0.014  0.496  1.0
  Na  Na2  1  0.503  0.986  0.996  1.0
  Na  Na3  1  0.003  0.514  0.996  1.0
  I  I4  1  0.025  0.996  0.752  1.0
  I  I5  1  0.525  0.504  0.752  1.0
  I  I6  1  0.475  0.496  0.252  1.0
  I  I7  1  0.975  0.004  0.252  1.0
  O  O8  1  0.197  0.477  0.746  1.0
  O  O9  1  0.599  0.654  0.914  1.0
  O  O10  1  0.111  0.859  0.584  1.0
  O  O11  1  0.611  0.641  0.584  1.0
  O  O12  1  0.901  0.154  0.414  1.0
  O  O13  1  0.099  0.846  0.914  1.0
  O  O14  1  0.401  0.346  0.414  1.0
  O  O15  1  0.303  0.977  0.246  1.0
  O  O16  1  0.803  0.523  0.246  1.0
  O  O17  1  0.697  0.023  0.746  1.0
  O  O18  1  0.889  0.141  0.084  1.0
  O  O19  1  0.389  0.359  0.084  1.0
[/CIF]
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The compound described by NaIO3 crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one I(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one I(1) atom. I(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_NaIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.566
_cell_length_b   7.421
_cell_length_c   8.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.251
_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
  Na  Na0  1  0.997  0.486  0.496  1.0
  Na  Na1  1  0.497  0.014  0.496  1.0
  Na  Na2  1  0.503  0.986  0.996  1.0
  Na  Na3  1  0.003  0.514  0.996  1.0
  I  I4  1  0.025  0.996  0.752  1.0
  I  I5  1  0.525  0.504  0.752  1.0
  I  I6  1  0.475  0.496  0.252  1.0
  I  I7  1  0.975  0.004  0.252  1.0
  O  O8  1  0.197  0.477  0.746  1.0
  O  O9  1  0.599  0.654  0.914  1.0
  O  O10  1  0.111  0.859  0.584  1.0
  O  O11  1  0.611  0.641  0.584  1.0
  O  O12  1  0.901  0.154  0.414  1.0
  O  O13  1  0.099  0.846  0.914  1.0
  O  O14  1  0.401  0.346  0.414  1.0
  O  O15  1  0.303  0.977  0.246  1.0
  O  O16  1  0.803  0.523  0.246  1.0
  O  O17  1  0.697  0.023  0.746  1.0
  O  O18  1  0.889  0.141  0.084  1.0
  O  O19  1  0.389  0.359  0.084  1.0
[/CIF]
.