The structure described by BaH4(OBr)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent Br(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. Br(1) is bonded in a 3-coordinate geometry to three equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaH4(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.418
_cell_length_b   6.418
_cell_length_c   8.492
_cell_angle_alpha   70.714
_cell_angle_beta   70.714
_cell_angle_gamma   68.981
_symmetry_Int_Tables_number   1
_cell_volume   299.129
_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  0.101  0.899  0.750  1.0
  Ba  Ba1  1  0.899  0.101  0.250  1.0
  H  H2  1  0.594  0.226  0.955  1.0
  H  H3  1  0.774  0.406  0.545  1.0
  H  H4  1  0.406  0.774  0.045  1.0
  H  H5  1  0.226  0.594  0.455  1.0
  H  H6  1  0.757  0.385  0.872  1.0
  H  H7  1  0.615  0.243  0.628  1.0
  H  H8  1  0.243  0.615  0.128  1.0
  H  H9  1  0.385  0.757  0.372  1.0
  Br  Br10  1  0.257  0.311  0.849  1.0
  Br  Br11  1  0.689  0.743  0.651  1.0
  Br  Br12  1  0.743  0.689  0.151  1.0
  Br  Br13  1  0.311  0.257  0.349  1.0
  O  O14  1  0.752  0.230  0.943  1.0
  O  O15  1  0.770  0.248  0.557  1.0
  O  O16  1  0.248  0.770  0.057  1.0
  O  O17  1  0.230  0.752  0.443  1.0
[/CIF]
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The structure described by BaH4(OBr)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent Br(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. Br(1) is bonded in a 3-coordinate geometry to three equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaH4(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.418
_cell_length_b   6.418
_cell_length_c   8.492
_cell_angle_alpha   70.714
_cell_angle_beta   70.714
_cell_angle_gamma   68.981
_symmetry_Int_Tables_number   1
_cell_volume   299.129
_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  0.101  0.899  0.750  1.0
  Ba  Ba1  1  0.899  0.101  0.250  1.0
  H  H2  1  0.594  0.226  0.955  1.0
  H  H3  1  0.774  0.406  0.545  1.0
  H  H4  1  0.406  0.774  0.045  1.0
  H  H5  1  0.226  0.594  0.455  1.0
  H  H6  1  0.757  0.385  0.872  1.0
  H  H7  1  0.615  0.243  0.628  1.0
  H  H8  1  0.243  0.615  0.128  1.0
  H  H9  1  0.385  0.757  0.372  1.0
  Br  Br10  1  0.257  0.311  0.849  1.0
  Br  Br11  1  0.689  0.743  0.651  1.0
  Br  Br12  1  0.743  0.689  0.151  1.0
  Br  Br13  1  0.311  0.257  0.349  1.0
  O  O14  1  0.752  0.230  0.943  1.0
  O  O15  1  0.770  0.248  0.557  1.0
  O  O16  1  0.248  0.770  0.057  1.0
  O  O17  1  0.230  0.752  0.443  1.0
[/CIF]
.