The structure described by BaH2OCl2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent Cl(2), and four equivalent Cl(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Ba(1), one H(1), and one H(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Ba(1) atoms to form a mixture of distorted corner and edge-sharing ClBa4 trigonal pyramids. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaH2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.651
_cell_length_b   9.093
_cell_length_c   11.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.024
_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  0.393  0.687  1.0
  Ba  Ba1  1  0.250  0.107  0.187  1.0
  Ba  Ba2  1  0.750  0.607  0.313  1.0
  Ba  Ba3  1  0.750  0.893  0.813  1.0
  H  H4  1  0.750  0.336  0.902  1.0
  H  H5  1  0.750  0.164  0.402  1.0
  H  H6  1  0.250  0.664  0.098  1.0
  H  H7  1  0.250  0.836  0.598  1.0
  H  H8  1  0.750  0.500  0.869  1.0
  H  H9  1  0.750  0.000  0.369  1.0
  H  H10  1  0.250  0.500  0.131  1.0
  H  H11  1  0.250  1.000  0.631  1.0
  Cl  Cl12  1  0.750  0.623  0.602  1.0
  Cl  Cl13  1  0.750  0.877  0.102  1.0
  Cl  Cl14  1  0.250  0.377  0.398  1.0
  Cl  Cl15  1  0.250  0.123  0.898  1.0
  Cl  Cl16  1  0.750  0.163  0.618  1.0
  Cl  Cl17  1  0.750  0.337  0.118  1.0
  Cl  Cl18  1  0.250  0.837  0.382  1.0
  Cl  Cl19  1  0.250  0.663  0.882  1.0
  O  O20  1  0.750  0.402  0.832  1.0
  O  O21  1  0.750  0.098  0.332  1.0
  O  O22  1  0.250  0.598  0.168  1.0
  O  O23  1  0.250  0.902  0.668  1.0
[/CIF]
.
The structure described by BaH2OCl2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent Cl(2), and four equivalent Cl(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Ba(1), one H(1), and one H(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Ba(1) atoms to form a mixture of distorted corner and edge-sharing ClBa4 trigonal pyramids. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaH2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.651
_cell_length_b   9.093
_cell_length_c   11.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.024
_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  0.393  0.687  1.0
  Ba  Ba1  1  0.250  0.107  0.187  1.0
  Ba  Ba2  1  0.750  0.607  0.313  1.0
  Ba  Ba3  1  0.750  0.893  0.813  1.0
  H  H4  1  0.750  0.336  0.902  1.0
  H  H5  1  0.750  0.164  0.402  1.0
  H  H6  1  0.250  0.664  0.098  1.0
  H  H7  1  0.250  0.836  0.598  1.0
  H  H8  1  0.750  0.500  0.869  1.0
  H  H9  1  0.750  0.000  0.369  1.0
  H  H10  1  0.250  0.500  0.131  1.0
  H  H11  1  0.250  1.000  0.631  1.0
  Cl  Cl12  1  0.750  0.623  0.602  1.0
  Cl  Cl13  1  0.750  0.877  0.102  1.0
  Cl  Cl14  1  0.250  0.377  0.398  1.0
  Cl  Cl15  1  0.250  0.123  0.898  1.0
  Cl  Cl16  1  0.750  0.163  0.618  1.0
  Cl  Cl17  1  0.750  0.337  0.118  1.0
  Cl  Cl18  1  0.250  0.837  0.382  1.0
  Cl  Cl19  1  0.250  0.663  0.882  1.0
  O  O20  1  0.750  0.402  0.832  1.0
  O  O21  1  0.750  0.098  0.332  1.0
  O  O22  1  0.250  0.598  0.168  1.0
  O  O23  1  0.250  0.902  0.668  1.0
[/CIF]
.