The crystal structure described by BaOCl crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to three equivalent O(1) and five equivalent Cl(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to three equivalent Ba(1) atoms. Cl(1) is bonded to five equivalent Ba(1) atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_BaClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.195
_cell_length_b   7.689
_cell_length_c   9.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.284
_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  0.777  0.881  1.0
  Ba  Ba1  1  0.750  0.223  0.119  1.0
  Ba  Ba2  1  0.750  0.723  0.381  1.0
  Ba  Ba3  1  0.250  0.277  0.619  1.0
  Cl  Cl4  1  0.250  0.545  0.164  1.0
  Cl  Cl5  1  0.750  0.455  0.836  1.0
  Cl  Cl6  1  0.750  0.955  0.664  1.0
  Cl  Cl7  1  0.250  0.045  0.336  1.0
  O  O8  1  0.250  0.597  0.534  1.0
  O  O9  1  0.750  0.403  0.466  1.0
  O  O10  1  0.750  0.903  0.034  1.0
  O  O11  1  0.250  0.097  0.966  1.0
[/CIF]
.
The crystal structure described by BaOCl crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to three equivalent O(1) and five equivalent Cl(1) atoms. O(1) is bonded in a distorted trigonal planar geometry to three equivalent Ba(1) atoms. Cl(1) is bonded to five equivalent Ba(1) atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_BaClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.195
_cell_length_b   7.689
_cell_length_c   9.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.284
_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  0.777  0.881  1.0
  Ba  Ba1  1  0.750  0.223  0.119  1.0
  Ba  Ba2  1  0.750  0.723  0.381  1.0
  Ba  Ba3  1  0.250  0.277  0.619  1.0
  Cl  Cl4  1  0.250  0.545  0.164  1.0
  Cl  Cl5  1  0.750  0.455  0.836  1.0
  Cl  Cl6  1  0.750  0.955  0.664  1.0
  Cl  Cl7  1  0.250  0.045  0.336  1.0
  O  O8  1  0.250  0.597  0.534  1.0
  O  O9  1  0.750  0.403  0.466  1.0
  O  O10  1  0.750  0.903  0.034  1.0
  O  O11  1  0.250  0.097  0.966  1.0
[/CIF]
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