The crystal structure described by BaH2O7I2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaH2I2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.904
_cell_length_b   7.904
_cell_length_c   9.151
_cell_angle_alpha   55.448
_cell_angle_beta   55.448
_cell_angle_gamma   62.672
_symmetry_Int_Tables_number   1
_cell_volume   379.772
_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
  Ba  Ba0  1  0.141  0.859  0.250  1.0
  Ba  Ba1  1  0.859  0.141  0.750  1.0
  H  H2  1  0.708  0.227  0.362  1.0
  H  H3  1  0.773  0.292  0.138  1.0
  H  H4  1  0.292  0.773  0.638  1.0
  H  H5  1  0.227  0.708  0.862  1.0
  I  I6  1  0.346  0.284  0.193  1.0
  I  I7  1  0.716  0.654  0.307  1.0
  I  I8  1  0.654  0.716  0.807  1.0
  I  I9  1  0.284  0.346  0.693  1.0
  O  O10  1  0.809  0.191  0.250  1.0
  O  O11  1  0.191  0.809  0.750  1.0
  O  O12  1  0.224  0.407  0.500  1.0
  O  O13  1  0.593  0.776  1.000  1.0
  O  O14  1  0.776  0.593  0.500  1.0
  O  O15  1  0.407  0.224  0.000  1.0
  O  O16  1  0.572  0.258  0.587  1.0
  O  O17  1  0.742  0.428  0.913  1.0
  O  O18  1  0.428  0.742  0.413  1.0
  O  O19  1  0.258  0.572  0.087  1.0
  O  O20  1  0.200  0.097  0.866  1.0
  O  O21  1  0.903  0.800  0.634  1.0
  O  O22  1  0.800  0.903  0.134  1.0
  O  O23  1  0.097  0.200  0.366  1.0
[/CIF]
.
The crystal structure described by BaH2O7I2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaH2I2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.904
_cell_length_b   7.904
_cell_length_c   9.151
_cell_angle_alpha   55.448
_cell_angle_beta   55.448
_cell_angle_gamma   62.672
_symmetry_Int_Tables_number   1
_cell_volume   379.772
_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
  Ba  Ba0  1  0.141  0.859  0.250  1.0
  Ba  Ba1  1  0.859  0.141  0.750  1.0
  H  H2  1  0.708  0.227  0.362  1.0
  H  H3  1  0.773  0.292  0.138  1.0
  H  H4  1  0.292  0.773  0.638  1.0
  H  H5  1  0.227  0.708  0.862  1.0
  I  I6  1  0.346  0.284  0.193  1.0
  I  I7  1  0.716  0.654  0.307  1.0
  I  I8  1  0.654  0.716  0.807  1.0
  I  I9  1  0.284  0.346  0.693  1.0
  O  O10  1  0.809  0.191  0.250  1.0
  O  O11  1  0.191  0.809  0.750  1.0
  O  O12  1  0.224  0.407  0.500  1.0
  O  O13  1  0.593  0.776  1.000  1.0
  O  O14  1  0.776  0.593  0.500  1.0
  O  O15  1  0.407  0.224  0.000  1.0
  O  O16  1  0.572  0.258  0.587  1.0
  O  O17  1  0.742  0.428  0.913  1.0
  O  O18  1  0.428  0.742  0.413  1.0
  O  O19  1  0.258  0.572  0.087  1.0
  O  O20  1  0.200  0.097  0.866  1.0
  O  O21  1  0.903  0.800  0.634  1.0
  O  O22  1  0.800  0.903  0.134  1.0
  O  O23  1  0.097  0.200  0.366  1.0
[/CIF]
.