The material structure described by BaH2(SO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the fifth O site, O(8) is bonded in a distorted water-like geometry to one Ba(1), one H(2), and one S(2) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. is represented by the CIF file [CIF]
data_BaH2(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.791
_cell_length_b   10.796
_cell_length_c   13.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.371
_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  0.507  0.563  0.336  1.0
  Ba  Ba1  1  0.993  0.437  0.836  1.0
  Ba  Ba2  1  0.007  0.937  0.664  1.0
  Ba  Ba3  1  0.493  0.063  0.164  1.0
  H  H4  1  0.213  0.760  0.910  1.0
  H  H5  1  0.287  0.240  0.410  1.0
  H  H6  1  0.713  0.740  0.090  1.0
  H  H7  1  0.787  0.260  0.590  1.0
  H  H8  1  0.443  0.554  0.631  1.0
  H  H9  1  0.057  0.446  0.131  1.0
  H  H10  1  0.943  0.946  0.369  1.0
  H  H11  1  0.557  0.054  0.869  1.0
  S  S12  1  0.562  0.715  0.815  1.0
  S  S13  1  0.938  0.285  0.315  1.0
  S  S14  1  0.062  0.785  0.185  1.0
  S  S15  1  0.438  0.215  0.685  1.0
  S  S16  1  0.036  0.579  0.563  1.0
  S  S17  1  0.464  0.421  0.063  1.0
  S  S18  1  0.536  0.921  0.437  1.0
  S  S19  1  0.964  0.079  0.937  1.0
  O  O20  1  0.516  0.824  0.751  1.0
  O  O21  1  0.984  0.176  0.251  1.0
  O  O22  1  0.016  0.676  0.249  1.0
  O  O23  1  0.484  0.324  0.749  1.0
  O  O24  1  0.855  0.698  0.843  1.0
  O  O25  1  0.645  0.302  0.343  1.0
  O  O26  1  0.355  0.802  0.157  1.0
  O  O27  1  0.145  0.198  0.657  1.0
  O  O28  1  0.441  0.601  0.773  1.0
  O  O29  1  0.059  0.399  0.273  1.0
  O  O30  1  0.941  0.899  0.227  1.0
  O  O31  1  0.559  0.101  0.727  1.0
  O  O32  1  0.414  0.741  0.919  1.0
  O  O33  1  0.086  0.259  0.419  1.0
  O  O34  1  0.914  0.759  0.081  1.0
  O  O35  1  0.586  0.241  0.581  1.0
  O  O36  1  0.977  0.559  0.457  1.0
  O  O37  1  0.523  0.441  0.957  1.0
  O  O38  1  0.477  0.941  0.543  1.0
  O  O39  1  0.023  0.059  0.043  1.0
  O  O40  1  0.974  0.704  0.597  1.0
  O  O41  1  0.526  0.296  0.097  1.0
  O  O42  1  0.474  0.796  0.403  1.0
  O  O43  1  0.026  0.204  0.903  1.0
  O  O44  1  0.577  0.516  0.130  1.0
  O  O45  1  0.923  0.484  0.630  1.0
  O  O46  1  0.077  0.984  0.870  1.0
  O  O47  1  0.423  0.016  0.370  1.0
  O  O48  1  0.369  0.560  0.562  1.0
  O  O49  1  0.131  0.440  0.062  1.0
  O  O50  1  0.869  0.940  0.438  1.0
  O  O51  1  0.631  0.060  0.938  1.0
[/CIF]
.
The material structure described by BaH2(SO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the fifth O site, O(8) is bonded in a distorted water-like geometry to one Ba(1), one H(2), and one S(2) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. is represented by the CIF file [CIF]
data_BaH2(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.791
_cell_length_b   10.796
_cell_length_c   13.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.371
_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  0.507  0.563  0.336  1.0
  Ba  Ba1  1  0.993  0.437  0.836  1.0
  Ba  Ba2  1  0.007  0.937  0.664  1.0
  Ba  Ba3  1  0.493  0.063  0.164  1.0
  H  H4  1  0.213  0.760  0.910  1.0
  H  H5  1  0.287  0.240  0.410  1.0
  H  H6  1  0.713  0.740  0.090  1.0
  H  H7  1  0.787  0.260  0.590  1.0
  H  H8  1  0.443  0.554  0.631  1.0
  H  H9  1  0.057  0.446  0.131  1.0
  H  H10  1  0.943  0.946  0.369  1.0
  H  H11  1  0.557  0.054  0.869  1.0
  S  S12  1  0.562  0.715  0.815  1.0
  S  S13  1  0.938  0.285  0.315  1.0
  S  S14  1  0.062  0.785  0.185  1.0
  S  S15  1  0.438  0.215  0.685  1.0
  S  S16  1  0.036  0.579  0.563  1.0
  S  S17  1  0.464  0.421  0.063  1.0
  S  S18  1  0.536  0.921  0.437  1.0
  S  S19  1  0.964  0.079  0.937  1.0
  O  O20  1  0.516  0.824  0.751  1.0
  O  O21  1  0.984  0.176  0.251  1.0
  O  O22  1  0.016  0.676  0.249  1.0
  O  O23  1  0.484  0.324  0.749  1.0
  O  O24  1  0.855  0.698  0.843  1.0
  O  O25  1  0.645  0.302  0.343  1.0
  O  O26  1  0.355  0.802  0.157  1.0
  O  O27  1  0.145  0.198  0.657  1.0
  O  O28  1  0.441  0.601  0.773  1.0
  O  O29  1  0.059  0.399  0.273  1.0
  O  O30  1  0.941  0.899  0.227  1.0
  O  O31  1  0.559  0.101  0.727  1.0
  O  O32  1  0.414  0.741  0.919  1.0
  O  O33  1  0.086  0.259  0.419  1.0
  O  O34  1  0.914  0.759  0.081  1.0
  O  O35  1  0.586  0.241  0.581  1.0
  O  O36  1  0.977  0.559  0.457  1.0
  O  O37  1  0.523  0.441  0.957  1.0
  O  O38  1  0.477  0.941  0.543  1.0
  O  O39  1  0.023  0.059  0.043  1.0
  O  O40  1  0.974  0.704  0.597  1.0
  O  O41  1  0.526  0.296  0.097  1.0
  O  O42  1  0.474  0.796  0.403  1.0
  O  O43  1  0.026  0.204  0.903  1.0
  O  O44  1  0.577  0.516  0.130  1.0
  O  O45  1  0.923  0.484  0.630  1.0
  O  O46  1  0.077  0.984  0.870  1.0
  O  O47  1  0.423  0.016  0.370  1.0
  O  O48  1  0.369  0.560  0.562  1.0
  O  O49  1  0.131  0.440  0.062  1.0
  O  O50  1  0.869  0.940  0.438  1.0
  O  O51  1  0.631  0.060  0.938  1.0
[/CIF]
.