The material structure described by BaH2O7Cl2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Cl(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. is represented by the CIF card [CIF]
data_BaH2Cl2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.589
_cell_length_b   7.589
_cell_length_c   9.058
_cell_angle_alpha   55.403
_cell_angle_beta   55.403
_cell_angle_gamma   63.899
_symmetry_Int_Tables_number   1
_cell_volume   348.147
_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  0.145  0.855  0.250  1.0
  Ba  Ba1  1  0.855  0.145  0.750  1.0
  H  H2  1  0.694  0.222  0.366  1.0
  H  H3  1  0.778  0.306  0.134  1.0
  H  H4  1  0.306  0.778  0.634  1.0
  H  H5  1  0.222  0.694  0.866  1.0
  Cl  Cl6  1  0.324  0.287  0.189  1.0
  Cl  Cl7  1  0.713  0.676  0.311  1.0
  Cl  Cl8  1  0.676  0.713  0.811  1.0
  Cl  Cl9  1  0.287  0.324  0.689  1.0
  O  O10  1  0.807  0.193  0.250  1.0
  O  O11  1  0.193  0.807  0.750  1.0
  O  O12  1  0.223  0.397  0.529  1.0
  O  O13  1  0.603  0.777  0.971  1.0
  O  O14  1  0.777  0.603  0.471  1.0
  O  O15  1  0.397  0.223  0.029  1.0
  O  O16  1  0.529  0.243  0.611  1.0
  O  O17  1  0.757  0.471  0.889  1.0
  O  O18  1  0.471  0.757  0.389  1.0
  O  O19  1  0.243  0.529  0.111  1.0
  O  O20  1  0.178  0.131  0.860  1.0
  O  O21  1  0.869  0.822  0.640  1.0
  O  O22  1  0.822  0.869  0.140  1.0
  O  O23  1  0.131  0.178  0.360  1.0
[/CIF]
.
The material structure described by BaH2O7Cl2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Cl(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. is represented by the CIF card [CIF]
data_BaH2Cl2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.589
_cell_length_b   7.589
_cell_length_c   9.058
_cell_angle_alpha   55.403
_cell_angle_beta   55.403
_cell_angle_gamma   63.899
_symmetry_Int_Tables_number   1
_cell_volume   348.147
_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  0.145  0.855  0.250  1.0
  Ba  Ba1  1  0.855  0.145  0.750  1.0
  H  H2  1  0.694  0.222  0.366  1.0
  H  H3  1  0.778  0.306  0.134  1.0
  H  H4  1  0.306  0.778  0.634  1.0
  H  H5  1  0.222  0.694  0.866  1.0
  Cl  Cl6  1  0.324  0.287  0.189  1.0
  Cl  Cl7  1  0.713  0.676  0.311  1.0
  Cl  Cl8  1  0.676  0.713  0.811  1.0
  Cl  Cl9  1  0.287  0.324  0.689  1.0
  O  O10  1  0.807  0.193  0.250  1.0
  O  O11  1  0.193  0.807  0.750  1.0
  O  O12  1  0.223  0.397  0.529  1.0
  O  O13  1  0.603  0.777  0.971  1.0
  O  O14  1  0.777  0.603  0.471  1.0
  O  O15  1  0.397  0.223  0.029  1.0
  O  O16  1  0.529  0.243  0.611  1.0
  O  O17  1  0.757  0.471  0.889  1.0
  O  O18  1  0.471  0.757  0.389  1.0
  O  O19  1  0.243  0.529  0.111  1.0
  O  O20  1  0.178  0.131  0.860  1.0
  O  O21  1  0.869  0.822  0.640  1.0
  O  O22  1  0.822  0.869  0.140  1.0
  O  O23  1  0.131  0.178  0.360  1.0
[/CIF]
.