The crystal structure described by NaO8I3 crystallizes in the tetragonal P-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent I(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Na(2) and one I(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one I(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_NaI3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.102
_cell_length_b   8.102
_cell_length_c   5.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.788
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  I  I2  1  0.500  0.000  0.603  1.0
  I  I3  1  0.731  0.748  0.110  1.0
  I  I4  1  0.000  0.500  0.397  1.0
  I  I5  1  0.252  0.731  0.890  1.0
  I  I6  1  0.269  0.252  0.110  1.0
  I  I7  1  0.748  0.269  0.890  1.0
  O  O8  1  0.487  0.274  0.157  1.0
  O  O9  1  0.232  0.072  0.286  1.0
  O  O10  1  0.668  0.947  0.802  1.0
  O  O11  1  0.072  0.768  0.714  1.0
  O  O12  1  0.053  0.668  0.198  1.0
  O  O13  1  0.274  0.513  0.843  1.0
  O  O14  1  0.410  0.766  0.640  1.0
  O  O15  1  0.726  0.487  0.843  1.0
  O  O16  1  0.766  0.590  0.360  1.0
  O  O17  1  0.234  0.410  0.360  1.0
  O  O18  1  0.768  0.928  0.286  1.0
  O  O19  1  0.947  0.332  0.198  1.0
  O  O20  1  0.590  0.234  0.640  1.0
  O  O21  1  0.332  0.053  0.802  1.0
  O  O22  1  0.928  0.232  0.714  1.0
  O  O23  1  0.513  0.726  0.157  1.0
[/CIF]
.
The crystal structure described by NaO8I3 crystallizes in the tetragonal P-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent I(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Na(2) and one I(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one I(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_NaI3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.102
_cell_length_b   8.102
_cell_length_c   5.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.788
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  I  I2  1  0.500  0.000  0.603  1.0
  I  I3  1  0.731  0.748  0.110  1.0
  I  I4  1  0.000  0.500  0.397  1.0
  I  I5  1  0.252  0.731  0.890  1.0
  I  I6  1  0.269  0.252  0.110  1.0
  I  I7  1  0.748  0.269  0.890  1.0
  O  O8  1  0.487  0.274  0.157  1.0
  O  O9  1  0.232  0.072  0.286  1.0
  O  O10  1  0.668  0.947  0.802  1.0
  O  O11  1  0.072  0.768  0.714  1.0
  O  O12  1  0.053  0.668  0.198  1.0
  O  O13  1  0.274  0.513  0.843  1.0
  O  O14  1  0.410  0.766  0.640  1.0
  O  O15  1  0.726  0.487  0.843  1.0
  O  O16  1  0.766  0.590  0.360  1.0
  O  O17  1  0.234  0.410  0.360  1.0
  O  O18  1  0.768  0.928  0.286  1.0
  O  O19  1  0.947  0.332  0.198  1.0
  O  O20  1  0.590  0.234  0.640  1.0
  O  O21  1  0.332  0.053  0.802  1.0
  O  O22  1  0.928  0.232  0.714  1.0
  O  O23  1  0.513  0.726  0.157  1.0
[/CIF]
.