The material structure described by BaHOCl crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) and five equivalent Cl(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one H(1) atom. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaHClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.463
_cell_length_b   7.481
_cell_length_c   9.382
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.234
_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  0.191  0.888  1.0
  Ba  Ba1  1  0.750  0.809  0.112  1.0
  Ba  Ba2  1  0.250  0.691  0.612  1.0
  Ba  Ba3  1  0.750  0.309  0.388  1.0
  H  H4  1  0.750  0.281  0.069  1.0
  H  H5  1  0.250  0.719  0.931  1.0
  H  H6  1  0.250  0.219  0.569  1.0
  H  H7  1  0.750  0.781  0.431  1.0
  Cl  Cl8  1  0.750  0.020  0.664  1.0
  Cl  Cl9  1  0.250  0.980  0.336  1.0
  Cl  Cl10  1  0.250  0.480  0.164  1.0
  Cl  Cl11  1  0.750  0.520  0.836  1.0
  O  O12  1  0.750  0.152  0.052  1.0
  O  O13  1  0.250  0.348  0.552  1.0
  O  O14  1  0.750  0.652  0.448  1.0
  O  O15  1  0.250  0.848  0.948  1.0
[/CIF]
.
The material structure described by BaHOCl crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) and five equivalent Cl(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one H(1) atom. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaHClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.463
_cell_length_b   7.481
_cell_length_c   9.382
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.234
_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  0.191  0.888  1.0
  Ba  Ba1  1  0.750  0.809  0.112  1.0
  Ba  Ba2  1  0.250  0.691  0.612  1.0
  Ba  Ba3  1  0.750  0.309  0.388  1.0
  H  H4  1  0.750  0.281  0.069  1.0
  H  H5  1  0.250  0.719  0.931  1.0
  H  H6  1  0.250  0.219  0.569  1.0
  H  H7  1  0.750  0.781  0.431  1.0
  Cl  Cl8  1  0.750  0.020  0.664  1.0
  Cl  Cl9  1  0.250  0.980  0.336  1.0
  Cl  Cl10  1  0.250  0.480  0.164  1.0
  Cl  Cl11  1  0.750  0.520  0.836  1.0
  O  O12  1  0.750  0.152  0.052  1.0
  O  O13  1  0.250  0.348  0.552  1.0
  O  O14  1  0.750  0.652  0.448  1.0
  O  O15  1  0.250  0.848  0.948  1.0
[/CIF]
.