The crystal structure described by Cs3H(SeO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(1), and six equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cs(1), one H(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one Se(1) atom. is represented by the CIF file [CIF]
data_Cs3H(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.430
_cell_length_b   6.430
_cell_length_c   8.681
_cell_angle_alpha   71.307
_cell_angle_beta   71.307
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   290.979
_cell_formula_units_Z   1
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  0.802  0.802  0.610  1.0
  Cs  Cs1  1  0.198  0.198  0.390  1.0
  Cs  Cs2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.571  0.571  0.234  1.0
  Se  Se5  1  0.429  0.429  0.766  1.0
  O  O6  1  0.713  0.713  0.258  1.0
  O  O7  1  0.287  0.287  0.742  1.0
  O  O8  1  0.603  0.603  0.022  1.0
  O  O9  1  0.397  0.397  0.978  1.0
  O  O10  1  0.273  0.697  0.309  1.0
  O  O11  1  0.303  0.727  0.691  1.0
  O  O12  1  0.727  0.303  0.691  1.0
  O  O13  1  0.697  0.273  0.309  1.0
[/CIF]
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The crystal structure described by Cs3H(SeO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(1), and six equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cs(1), one H(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one Se(1) atom. is represented by the CIF file [CIF]
data_Cs3H(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.430
_cell_length_b   6.430
_cell_length_c   8.681
_cell_angle_alpha   71.307
_cell_angle_beta   71.307
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   290.979
_cell_formula_units_Z   1
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  0.802  0.802  0.610  1.0
  Cs  Cs1  1  0.198  0.198  0.390  1.0
  Cs  Cs2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.571  0.571  0.234  1.0
  Se  Se5  1  0.429  0.429  0.766  1.0
  O  O6  1  0.713  0.713  0.258  1.0
  O  O7  1  0.287  0.287  0.742  1.0
  O  O8  1  0.603  0.603  0.022  1.0
  O  O9  1  0.397  0.397  0.978  1.0
  O  O10  1  0.273  0.697  0.309  1.0
  O  O11  1  0.303  0.727  0.691  1.0
  O  O12  1  0.727  0.303  0.691  1.0
  O  O13  1  0.697  0.273  0.309  1.0
[/CIF]
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