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(2) and 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 bent 120 degrees 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(1), one I(2), and one I(3) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one I(1) and one I(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one H(1) and one I(1) atom. In the seventh O site, O(3) is bonded in a single-bond geometry to one I(2) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one I(1) and one I(2) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) 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 3-coordinate geometry to one O(6), one O(7), and one O(8) atom. is represented by the CIF file [CIF]
data_HI3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.941
_cell_length_b   7.745
_cell_length_c   13.751
_cell_angle_alpha   57.831
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.927
_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  0.588  0.113  0.885  1.0
  H  H1  1  0.912  0.113  0.385  1.0
  H  H2  1  0.412  0.887  0.115  1.0
  H  H3  1  0.088  0.887  0.615  1.0
  I  I4  1  0.799  0.327  0.912  1.0
  I  I5  1  0.701  0.327  0.412  1.0
  I  I6  1  0.201  0.673  0.088  1.0
  I  I7  1  0.299  0.673  0.588  1.0
  I  I8  1  0.259  0.451  0.890  1.0
  I  I9  1  0.241  0.451  0.390  1.0
  I  I10  1  0.741  0.549  0.110  1.0
  I  I11  1  0.759  0.549  0.610  1.0
  I  I12  1  0.951  0.949  0.807  1.0
  I  I13  1  0.549  0.949  0.307  1.0
  I  I14  1  0.049  0.051  0.193  1.0
  I  I15  1  0.451  0.051  0.693  1.0
  O  O16  1  0.699  0.484  0.956  1.0
  O  O17  1  0.801  0.484  0.456  1.0
  O  O18  1  0.301  0.516  0.044  1.0
  O  O19  1  0.199  0.516  0.544  1.0
  O  O20  1  0.587  0.202  0.920  1.0
  O  O21  1  0.913  0.202  0.420  1.0
  O  O22  1  0.413  0.798  0.080  1.0
  O  O23  1  0.087  0.798  0.580  1.0
  O  O24  1  0.193  0.190  0.983  1.0
  O  O25  1  0.307  0.190  0.483  1.0
  O  O26  1  0.807  0.810  0.017  1.0
  O  O27  1  0.693  0.810  0.517  1.0
  O  O28  1  0.049  0.563  0.867  1.0
  O  O29  1  0.451  0.563  0.367  1.0
  O  O30  1  0.951  0.437  0.133  1.0
  O  O31  1  0.549  0.437  0.633  1.0
  O  O32  1  0.253  0.440  0.751  1.0
  O  O33  1  0.247  0.440  0.251  1.0
  O  O34  1  0.747  0.560  0.249  1.0
  O  O35  1  0.753  0.560  0.749  1.0
  O  O36  1  0.554  0.966  0.829  1.0
  O  O37  1  0.946  0.966  0.329  1.0
  O  O38  1  0.446  0.034  0.171  1.0
  O  O39  1  0.054  0.034  0.671  1.0
  O  O40  1  0.145  0.907  0.894  1.0
  O  O41  1  0.355  0.907  0.394  1.0
  O  O42  1  0.855  0.093  0.106  1.0
  O  O43  1  0.645  0.093  0.606  1.0
  O  O44  1  0.888  0.200  0.782  1.0
  O  O45  1  0.612  0.200  0.282  1.0
  O  O46  1  0.112  0.800  0.218  1.0
  O  O47  1  0.388  0.800  0.718  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(2) and 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 bent 120 degrees 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(1), one I(2), and one I(3) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one I(1) and one I(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one H(1) and one I(1) atom. In the seventh O site, O(3) is bonded in a single-bond geometry to one I(2) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one I(1) and one I(2) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) 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 3-coordinate geometry to one O(6), one O(7), and one O(8) atom. is represented by the CIF file [CIF]
data_HI3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.941
_cell_length_b   7.745
_cell_length_c   13.751
_cell_angle_alpha   57.831
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.927
_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  0.588  0.113  0.885  1.0
  H  H1  1  0.912  0.113  0.385  1.0
  H  H2  1  0.412  0.887  0.115  1.0
  H  H3  1  0.088  0.887  0.615  1.0
  I  I4  1  0.799  0.327  0.912  1.0
  I  I5  1  0.701  0.327  0.412  1.0
  I  I6  1  0.201  0.673  0.088  1.0
  I  I7  1  0.299  0.673  0.588  1.0
  I  I8  1  0.259  0.451  0.890  1.0
  I  I9  1  0.241  0.451  0.390  1.0
  I  I10  1  0.741  0.549  0.110  1.0
  I  I11  1  0.759  0.549  0.610  1.0
  I  I12  1  0.951  0.949  0.807  1.0
  I  I13  1  0.549  0.949  0.307  1.0
  I  I14  1  0.049  0.051  0.193  1.0
  I  I15  1  0.451  0.051  0.693  1.0
  O  O16  1  0.699  0.484  0.956  1.0
  O  O17  1  0.801  0.484  0.456  1.0
  O  O18  1  0.301  0.516  0.044  1.0
  O  O19  1  0.199  0.516  0.544  1.0
  O  O20  1  0.587  0.202  0.920  1.0
  O  O21  1  0.913  0.202  0.420  1.0
  O  O22  1  0.413  0.798  0.080  1.0
  O  O23  1  0.087  0.798  0.580  1.0
  O  O24  1  0.193  0.190  0.983  1.0
  O  O25  1  0.307  0.190  0.483  1.0
  O  O26  1  0.807  0.810  0.017  1.0
  O  O27  1  0.693  0.810  0.517  1.0
  O  O28  1  0.049  0.563  0.867  1.0
  O  O29  1  0.451  0.563  0.367  1.0
  O  O30  1  0.951  0.437  0.133  1.0
  O  O31  1  0.549  0.437  0.633  1.0
  O  O32  1  0.253  0.440  0.751  1.0
  O  O33  1  0.247  0.440  0.251  1.0
  O  O34  1  0.747  0.560  0.249  1.0
  O  O35  1  0.753  0.560  0.749  1.0
  O  O36  1  0.554  0.966  0.829  1.0
  O  O37  1  0.946  0.966  0.329  1.0
  O  O38  1  0.446  0.034  0.171  1.0
  O  O39  1  0.054  0.034  0.671  1.0
  O  O40  1  0.145  0.907  0.894  1.0
  O  O41  1  0.355  0.907  0.394  1.0
  O  O42  1  0.855  0.093  0.106  1.0
  O  O43  1  0.645  0.093  0.606  1.0
  O  O44  1  0.888  0.200  0.782  1.0
  O  O45  1  0.612  0.200  0.282  1.0
  O  O46  1  0.112  0.800  0.218  1.0
  O  O47  1  0.388  0.800  0.718  1.0
[/CIF]
.