The material structure described by HI3O8 crystallizes in the monoclinic P2_1/c space group. H(1) is bonded in a single-bond geometry to one O(6) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one I(1) and one I(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one H(1) and one I(3) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(3) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one I(2) and one I(3) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one I(1) and one I(2) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to one I(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one I(2) and one I(3) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one I(2) and one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the second I site, I(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. In the third I site, I(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(8) atom. is represented by the CIF card [CIF]
data_HI3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.976
_cell_length_b   7.736
_cell_length_c   13.811
_cell_angle_alpha   57.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.227
_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
  H  H0  1  0.046  0.954  0.638  1.0
  H  H1  1  0.546  0.046  0.862  1.0
  H  H2  1  0.954  0.046  0.362  1.0
  H  H3  1  0.454  0.954  0.138  1.0
  I  I4  1  0.273  0.666  0.595  1.0
  I  I5  1  0.773  0.334  0.905  1.0
  I  I6  1  0.727  0.334  0.405  1.0
  I  I7  1  0.227  0.666  0.095  1.0
  I  I8  1  0.758  0.546  0.604  1.0
  I  I9  1  0.258  0.454  0.896  1.0
  I  I10  1  0.242  0.454  0.396  1.0
  I  I11  1  0.742  0.546  0.104  1.0
  I  I12  1  0.451  0.057  0.687  1.0
  I  I13  1  0.951  0.943  0.813  1.0
  I  I14  1  0.549  0.943  0.313  1.0
  I  I15  1  0.049  0.057  0.187  1.0
  O  O16  1  0.200  0.494  0.551  1.0
  O  O17  1  0.700  0.506  0.949  1.0
  O  O18  1  0.800  0.506  0.449  1.0
  O  O19  1  0.300  0.494  0.051  1.0
  O  O20  1  0.074  0.786  0.586  1.0
  O  O21  1  0.574  0.214  0.914  1.0
  O  O22  1  0.926  0.214  0.414  1.0
  O  O23  1  0.426  0.786  0.086  1.0
  O  O24  1  0.678  0.806  0.509  1.0
  O  O25  1  0.178  0.194  0.991  1.0
  O  O26  1  0.322  0.194  0.491  1.0
  O  O27  1  0.822  0.806  0.009  1.0
  O  O28  1  0.555  0.417  0.637  1.0
  O  O29  1  0.055  0.583  0.863  1.0
  O  O30  1  0.445  0.583  0.363  1.0
  O  O31  1  0.945  0.417  0.137  1.0
  O  O32  1  0.751  0.570  0.742  1.0
  O  O33  1  0.251  0.430  0.758  1.0
  O  O34  1  0.249  0.430  0.258  1.0
  O  O35  1  0.749  0.570  0.242  1.0
  O  O36  1  0.044  0.057  0.661  1.0
  O  O37  1  0.544  0.943  0.839  1.0
  O  O38  1  0.956  0.943  0.339  1.0
  O  O39  1  0.456  0.057  0.161  1.0
  O  O40  1  0.650  0.073  0.618  1.0
  O  O41  1  0.150  0.927  0.882  1.0
  O  O42  1  0.350  0.927  0.382  1.0
  O  O43  1  0.850  0.073  0.118  1.0
  O  O44  1  0.383  0.804  0.722  1.0
  O  O45  1  0.883  0.196  0.778  1.0
  O  O46  1  0.617  0.196  0.278  1.0
  O  O47  1  0.117  0.804  0.222  1.0
[/CIF]
.
The material structure described by HI3O8 crystallizes in the monoclinic P2_1/c space group. H(1) is bonded in a single-bond geometry to one O(6) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one I(1) and one I(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one H(1) and one I(3) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(3) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one I(2) and one I(3) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one I(1) and one I(2) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to one I(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one I(2) and one I(3) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one I(2) and one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the second I site, I(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. In the third I site, I(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(8) atom. is represented by the CIF card [CIF]
data_HI3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.976
_cell_length_b   7.736
_cell_length_c   13.811
_cell_angle_alpha   57.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.227
_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
  H  H0  1  0.046  0.954  0.638  1.0
  H  H1  1  0.546  0.046  0.862  1.0
  H  H2  1  0.954  0.046  0.362  1.0
  H  H3  1  0.454  0.954  0.138  1.0
  I  I4  1  0.273  0.666  0.595  1.0
  I  I5  1  0.773  0.334  0.905  1.0
  I  I6  1  0.727  0.334  0.405  1.0
  I  I7  1  0.227  0.666  0.095  1.0
  I  I8  1  0.758  0.546  0.604  1.0
  I  I9  1  0.258  0.454  0.896  1.0
  I  I10  1  0.242  0.454  0.396  1.0
  I  I11  1  0.742  0.546  0.104  1.0
  I  I12  1  0.451  0.057  0.687  1.0
  I  I13  1  0.951  0.943  0.813  1.0
  I  I14  1  0.549  0.943  0.313  1.0
  I  I15  1  0.049  0.057  0.187  1.0
  O  O16  1  0.200  0.494  0.551  1.0
  O  O17  1  0.700  0.506  0.949  1.0
  O  O18  1  0.800  0.506  0.449  1.0
  O  O19  1  0.300  0.494  0.051  1.0
  O  O20  1  0.074  0.786  0.586  1.0
  O  O21  1  0.574  0.214  0.914  1.0
  O  O22  1  0.926  0.214  0.414  1.0
  O  O23  1  0.426  0.786  0.086  1.0
  O  O24  1  0.678  0.806  0.509  1.0
  O  O25  1  0.178  0.194  0.991  1.0
  O  O26  1  0.322  0.194  0.491  1.0
  O  O27  1  0.822  0.806  0.009  1.0
  O  O28  1  0.555  0.417  0.637  1.0
  O  O29  1  0.055  0.583  0.863  1.0
  O  O30  1  0.445  0.583  0.363  1.0
  O  O31  1  0.945  0.417  0.137  1.0
  O  O32  1  0.751  0.570  0.742  1.0
  O  O33  1  0.251  0.430  0.758  1.0
  O  O34  1  0.249  0.430  0.258  1.0
  O  O35  1  0.749  0.570  0.242  1.0
  O  O36  1  0.044  0.057  0.661  1.0
  O  O37  1  0.544  0.943  0.839  1.0
  O  O38  1  0.956  0.943  0.339  1.0
  O  O39  1  0.456  0.057  0.161  1.0
  O  O40  1  0.650  0.073  0.618  1.0
  O  O41  1  0.150  0.927  0.882  1.0
  O  O42  1  0.350  0.927  0.382  1.0
  O  O43  1  0.850  0.073  0.118  1.0
  O  O44  1  0.383  0.804  0.722  1.0
  O  O45  1  0.883  0.196  0.778  1.0
  O  O46  1  0.617  0.196  0.278  1.0
  O  O47  1  0.117  0.804  0.222  1.0
[/CIF]
.