The crystal structure described by CsHS2O7 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), one O(5), two equivalent O(6), three equivalent O(2), and three equivalent O(7) atoms. H(1) is bonded in a linear geometry to one O(4) and one O(5) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form corner-sharing SO4 tetrahedra. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one H(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(1) atom. is represented by the CIF card [CIF]
data_CsHS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.525
_cell_length_b   8.211
_cell_length_c   8.898
_cell_angle_alpha   94.371
_cell_angle_beta   101.948
_cell_angle_gamma   105.790
_symmetry_Int_Tables_number   1
_cell_volume   376.234
_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
  Cs  Cs0  1  0.804  0.191  0.863  1.0
  Cs  Cs1  1  0.196  0.809  0.137  1.0
  H  H2  1  0.181  0.382  0.352  1.0
  H  H3  1  0.819  0.618  0.648  1.0
  S  S4  1  0.522  0.363  0.187  1.0
  S  S5  1  0.478  0.637  0.813  1.0
  S  S6  1  0.844  0.192  0.384  1.0
  S  S7  1  0.156  0.808  0.616  1.0
  O  O8  1  0.613  0.281  0.354  1.0
  O  O9  1  0.387  0.719  0.646  1.0
  O  O10  1  0.843  0.097  0.241  1.0
  O  O11  1  0.157  0.903  0.759  1.0
  O  O12  1  0.800  0.106  0.515  1.0
  O  O13  1  0.200  0.894  0.485  1.0
  O  O14  1  0.093  0.344  0.440  1.0
  O  O15  1  0.907  0.656  0.560  1.0
  O  O16  1  0.359  0.457  0.242  1.0
  O  O17  1  0.641  0.543  0.758  1.0
  O  O18  1  0.758  0.467  0.156  1.0
  O  O19  1  0.242  0.533  0.844  1.0
  O  O20  1  0.380  0.214  0.072  1.0
  O  O21  1  0.620  0.786  0.928  1.0
[/CIF]
.
The crystal structure described by CsHS2O7 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), one O(5), two equivalent O(6), three equivalent O(2), and three equivalent O(7) atoms. H(1) is bonded in a linear geometry to one O(4) and one O(5) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form corner-sharing SO4 tetrahedra. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one H(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(1) atom. is represented by the CIF card [CIF]
data_CsHS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.525
_cell_length_b   8.211
_cell_length_c   8.898
_cell_angle_alpha   94.371
_cell_angle_beta   101.948
_cell_angle_gamma   105.790
_symmetry_Int_Tables_number   1
_cell_volume   376.234
_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
  Cs  Cs0  1  0.804  0.191  0.863  1.0
  Cs  Cs1  1  0.196  0.809  0.137  1.0
  H  H2  1  0.181  0.382  0.352  1.0
  H  H3  1  0.819  0.618  0.648  1.0
  S  S4  1  0.522  0.363  0.187  1.0
  S  S5  1  0.478  0.637  0.813  1.0
  S  S6  1  0.844  0.192  0.384  1.0
  S  S7  1  0.156  0.808  0.616  1.0
  O  O8  1  0.613  0.281  0.354  1.0
  O  O9  1  0.387  0.719  0.646  1.0
  O  O10  1  0.843  0.097  0.241  1.0
  O  O11  1  0.157  0.903  0.759  1.0
  O  O12  1  0.800  0.106  0.515  1.0
  O  O13  1  0.200  0.894  0.485  1.0
  O  O14  1  0.093  0.344  0.440  1.0
  O  O15  1  0.907  0.656  0.560  1.0
  O  O16  1  0.359  0.457  0.242  1.0
  O  O17  1  0.641  0.543  0.758  1.0
  O  O18  1  0.758  0.467  0.156  1.0
  O  O19  1  0.242  0.533  0.844  1.0
  O  O20  1  0.380  0.214  0.072  1.0
  O  O21  1  0.620  0.786  0.928  1.0
[/CIF]
.