The material structure described by BaOI2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) and four equivalent I(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one I(2) atom. There are two inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one O(1) atom. In the second I site, I(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing IBa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaI2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.644
_cell_length_b   9.810
_cell_length_c   12.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   559.180
_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
  Ba  Ba0  1  0.250  0.229  0.877  1.0
  Ba  Ba1  1  0.250  0.729  0.623  1.0
  Ba  Ba2  1  0.750  0.771  0.123  1.0
  Ba  Ba3  1  0.750  0.271  0.377  1.0
  I  I4  1  0.750  0.133  0.098  1.0
  I  I5  1  0.750  0.633  0.402  1.0
  I  I6  1  0.250  0.867  0.902  1.0
  I  I7  1  0.250  0.367  0.598  1.0
  I  I8  1  0.750  0.049  0.657  1.0
  I  I9  1  0.750  0.549  0.843  1.0
  I  I10  1  0.250  0.951  0.343  1.0
  I  I11  1  0.250  0.451  0.157  1.0
  O  O12  1  0.750  0.347  0.850  1.0
  O  O13  1  0.750  0.847  0.650  1.0
  O  O14  1  0.250  0.653  0.150  1.0
  O  O15  1  0.250  0.153  0.350  1.0
[/CIF]
.
The material structure described by BaOI2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) and four equivalent I(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one I(2) atom. There are two inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one O(1) atom. In the second I site, I(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing IBa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaI2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.644
_cell_length_b   9.810
_cell_length_c   12.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   559.180
_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
  Ba  Ba0  1  0.250  0.229  0.877  1.0
  Ba  Ba1  1  0.250  0.729  0.623  1.0
  Ba  Ba2  1  0.750  0.771  0.123  1.0
  Ba  Ba3  1  0.750  0.271  0.377  1.0
  I  I4  1  0.750  0.133  0.098  1.0
  I  I5  1  0.750  0.633  0.402  1.0
  I  I6  1  0.250  0.867  0.902  1.0
  I  I7  1  0.250  0.367  0.598  1.0
  I  I8  1  0.750  0.049  0.657  1.0
  I  I9  1  0.750  0.549  0.843  1.0
  I  I10  1  0.250  0.951  0.343  1.0
  I  I11  1  0.250  0.451  0.157  1.0
  O  O12  1  0.750  0.347  0.850  1.0
  O  O13  1  0.750  0.847  0.650  1.0
  O  O14  1  0.250  0.653  0.150  1.0
  O  O15  1  0.250  0.153  0.350  1.0
[/CIF]
.