The material structure described by Ba(IO3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 two equivalent Ba(1) and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_Ba(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.432
_cell_length_b   7.432
_cell_length_c   7.814
_cell_angle_alpha   99.712
_cell_angle_beta   112.337
_cell_angle_gamma   115.026
_symmetry_Int_Tables_number   1
_cell_volume   332.647
_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  0.883  0.633  0.250  1.0
  Ba  Ba1  1  0.117  0.367  0.750  1.0
  I  I2  1  0.480  0.152  0.690  1.0
  I  I3  1  0.963  0.791  0.810  1.0
  I  I4  1  0.520  0.848  0.310  1.0
  I  I5  1  0.037  0.209  0.190  1.0
  O  O6  1  0.654  0.242  0.574  1.0
  O  O7  1  0.168  0.080  0.926  1.0
  O  O8  1  0.346  0.758  0.426  1.0
  O  O9  1  0.832  0.920  0.074  1.0
  O  O10  1  0.553  0.411  0.844  1.0
  O  O11  1  0.067  0.709  0.656  1.0
  O  O12  1  0.905  0.282  0.988  1.0
  O  O13  1  0.794  0.917  0.512  1.0
  O  O14  1  0.095  0.718  0.012  1.0
  O  O15  1  0.206  0.083  0.488  1.0
  O  O16  1  0.933  0.291  0.344  1.0
  O  O17  1  0.447  0.589  0.156  1.0
[/CIF]
.
The material structure described by Ba(IO3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 two equivalent Ba(1) and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_Ba(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.432
_cell_length_b   7.432
_cell_length_c   7.814
_cell_angle_alpha   99.712
_cell_angle_beta   112.337
_cell_angle_gamma   115.026
_symmetry_Int_Tables_number   1
_cell_volume   332.647
_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  0.883  0.633  0.250  1.0
  Ba  Ba1  1  0.117  0.367  0.750  1.0
  I  I2  1  0.480  0.152  0.690  1.0
  I  I3  1  0.963  0.791  0.810  1.0
  I  I4  1  0.520  0.848  0.310  1.0
  I  I5  1  0.037  0.209  0.190  1.0
  O  O6  1  0.654  0.242  0.574  1.0
  O  O7  1  0.168  0.080  0.926  1.0
  O  O8  1  0.346  0.758  0.426  1.0
  O  O9  1  0.832  0.920  0.074  1.0
  O  O10  1  0.553  0.411  0.844  1.0
  O  O11  1  0.067  0.709  0.656  1.0
  O  O12  1  0.905  0.282  0.988  1.0
  O  O13  1  0.794  0.917  0.512  1.0
  O  O14  1  0.095  0.718  0.012  1.0
  O  O15  1  0.206  0.083  0.488  1.0
  O  O16  1  0.933  0.291  0.344  1.0
  O  O17  1  0.447  0.589  0.156  1.0
[/CIF]
.