The structure described by CsHSO4 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 10-coordinate geometry to three equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one H(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsHSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.603
_cell_length_c   7.297
_cell_angle_alpha   79.844
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.329
_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  0.250  0.986  0.715  1.0
  Cs  Cs1  1  0.750  0.014  0.285  1.0
  H  H2  1  0.500  0.500  0.000  1.0
  H  H3  1  0.000  0.500  0.000  1.0
  S  S4  1  0.750  0.454  0.759  1.0
  S  S5  1  0.250  0.546  0.241  1.0
  O  O6  1  0.457  0.622  0.117  1.0
  O  O7  1  0.543  0.378  0.883  1.0
  O  O8  1  0.750  0.313  0.611  1.0
  O  O9  1  0.043  0.622  0.117  1.0
  O  O10  1  0.957  0.378  0.883  1.0
  O  O11  1  0.250  0.282  0.299  1.0
  O  O12  1  0.250  0.687  0.389  1.0
  O  O13  1  0.750  0.718  0.701  1.0
[/CIF]
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The structure described by CsHSO4 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 10-coordinate geometry to three equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one H(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsHSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.603
_cell_length_c   7.297
_cell_angle_alpha   79.844
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.329
_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  0.250  0.986  0.715  1.0
  Cs  Cs1  1  0.750  0.014  0.285  1.0
  H  H2  1  0.500  0.500  0.000  1.0
  H  H3  1  0.000  0.500  0.000  1.0
  S  S4  1  0.750  0.454  0.759  1.0
  S  S5  1  0.250  0.546  0.241  1.0
  O  O6  1  0.457  0.622  0.117  1.0
  O  O7  1  0.543  0.378  0.883  1.0
  O  O8  1  0.750  0.313  0.611  1.0
  O  O9  1  0.043  0.622  0.117  1.0
  O  O10  1  0.957  0.378  0.883  1.0
  O  O11  1  0.250  0.282  0.299  1.0
  O  O12  1  0.250  0.687  0.389  1.0
  O  O13  1  0.750  0.718  0.701  1.0
[/CIF]
.