The material described by NaIO3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. There are two 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 trigonal non-coplanar geometry to two equivalent Na(1) and one I(1) atom. I(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   6.373
_cell_length_c   8.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.519
_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  0.500  0.000  0.000  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Na  Na2  1  0.000  0.500  0.500  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  I  I4  1  0.011  0.009  0.250  1.0
  I  I5  1  0.511  0.491  0.750  1.0
  I  I6  1  0.489  0.509  0.250  1.0
  I  I7  1  0.989  0.991  0.750  1.0
  O  O8  1  0.136  0.165  0.418  1.0
  O  O9  1  0.636  0.335  0.582  1.0
  O  O10  1  0.364  0.665  0.082  1.0
  O  O11  1  0.864  0.835  0.918  1.0
  O  O12  1  0.864  0.835  0.582  1.0
  O  O13  1  0.364  0.665  0.418  1.0
  O  O14  1  0.636  0.335  0.918  1.0
  O  O15  1  0.136  0.165  0.082  1.0
  O  O16  1  0.710  0.094  0.250  1.0
  O  O17  1  0.210  0.406  0.750  1.0
  O  O18  1  0.790  0.594  0.250  1.0
  O  O19  1  0.290  0.906  0.750  1.0
[/CIF]
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The material described by NaIO3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. There are two 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 trigonal non-coplanar geometry to two equivalent Na(1) and one I(1) atom. I(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   6.373
_cell_length_c   8.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.519
_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  0.500  0.000  0.000  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Na  Na2  1  0.000  0.500  0.500  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  I  I4  1  0.011  0.009  0.250  1.0
  I  I5  1  0.511  0.491  0.750  1.0
  I  I6  1  0.489  0.509  0.250  1.0
  I  I7  1  0.989  0.991  0.750  1.0
  O  O8  1  0.136  0.165  0.418  1.0
  O  O9  1  0.636  0.335  0.582  1.0
  O  O10  1  0.364  0.665  0.082  1.0
  O  O11  1  0.864  0.835  0.918  1.0
  O  O12  1  0.864  0.835  0.582  1.0
  O  O13  1  0.364  0.665  0.418  1.0
  O  O14  1  0.636  0.335  0.918  1.0
  O  O15  1  0.136  0.165  0.082  1.0
  O  O16  1  0.710  0.094  0.250  1.0
  O  O17  1  0.210  0.406  0.750  1.0
  O  O18  1  0.790  0.594  0.250  1.0
  O  O19  1  0.290  0.906  0.750  1.0
[/CIF]
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