The crystal structure described by CeHSO5 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and three equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ce(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Ce(1) and one H(1) atom. is represented by the CIF card [CIF]
data_CeHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.655
_cell_length_b   4.557
_cell_length_c   7.180
_cell_angle_alpha   68.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.189
_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
  Ce  Ce0  1  0.064  0.662  0.198  1.0
  Ce  Ce1  1  0.564  0.338  0.302  1.0
  Ce  Ce2  1  0.936  0.338  0.802  1.0
  Ce  Ce3  1  0.436  0.662  0.698  1.0
  H  H4  1  0.846  0.713  0.024  1.0
  H  H5  1  0.346  0.287  0.476  1.0
  H  H6  1  0.154  0.287  0.976  1.0
  H  H7  1  0.654  0.713  0.524  1.0
  S  S8  1  0.146  0.904  0.612  1.0
  S  S9  1  0.646  0.096  0.888  1.0
  S  S10  1  0.854  0.096  0.388  1.0
  S  S11  1  0.354  0.904  0.112  1.0
  O  O12  1  0.097  0.971  0.781  1.0
  O  O13  1  0.597  0.029  0.719  1.0
  O  O14  1  0.903  0.029  0.219  1.0
  O  O15  1  0.403  0.971  0.281  1.0
  O  O16  1  0.165  0.193  0.439  1.0
  O  O17  1  0.665  0.807  0.061  1.0
  O  O18  1  0.835  0.807  0.561  1.0
  O  O19  1  0.335  0.193  0.939  1.0
  O  O20  1  0.071  0.695  0.552  1.0
  O  O21  1  0.571  0.305  0.948  1.0
  O  O22  1  0.929  0.305  0.448  1.0
  O  O23  1  0.429  0.695  0.052  1.0
  O  O24  1  0.246  0.731  0.680  1.0
  O  O25  1  0.746  0.269  0.820  1.0
  O  O26  1  0.754  0.269  0.320  1.0
  O  O27  1  0.254  0.731  0.180  1.0
  O  O28  1  0.916  0.737  0.959  1.0
  O  O29  1  0.416  0.263  0.541  1.0
  O  O30  1  0.084  0.263  0.041  1.0
  O  O31  1  0.584  0.737  0.459  1.0
[/CIF]
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The crystal structure described by CeHSO5 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and three equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ce(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Ce(1) and one H(1) atom. is represented by the CIF card [CIF]
data_CeHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.655
_cell_length_b   4.557
_cell_length_c   7.180
_cell_angle_alpha   68.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.189
_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
  Ce  Ce0  1  0.064  0.662  0.198  1.0
  Ce  Ce1  1  0.564  0.338  0.302  1.0
  Ce  Ce2  1  0.936  0.338  0.802  1.0
  Ce  Ce3  1  0.436  0.662  0.698  1.0
  H  H4  1  0.846  0.713  0.024  1.0
  H  H5  1  0.346  0.287  0.476  1.0
  H  H6  1  0.154  0.287  0.976  1.0
  H  H7  1  0.654  0.713  0.524  1.0
  S  S8  1  0.146  0.904  0.612  1.0
  S  S9  1  0.646  0.096  0.888  1.0
  S  S10  1  0.854  0.096  0.388  1.0
  S  S11  1  0.354  0.904  0.112  1.0
  O  O12  1  0.097  0.971  0.781  1.0
  O  O13  1  0.597  0.029  0.719  1.0
  O  O14  1  0.903  0.029  0.219  1.0
  O  O15  1  0.403  0.971  0.281  1.0
  O  O16  1  0.165  0.193  0.439  1.0
  O  O17  1  0.665  0.807  0.061  1.0
  O  O18  1  0.835  0.807  0.561  1.0
  O  O19  1  0.335  0.193  0.939  1.0
  O  O20  1  0.071  0.695  0.552  1.0
  O  O21  1  0.571  0.305  0.948  1.0
  O  O22  1  0.929  0.305  0.448  1.0
  O  O23  1  0.429  0.695  0.052  1.0
  O  O24  1  0.246  0.731  0.680  1.0
  O  O25  1  0.746  0.269  0.820  1.0
  O  O26  1  0.754  0.269  0.320  1.0
  O  O27  1  0.254  0.731  0.180  1.0
  O  O28  1  0.916  0.737  0.959  1.0
  O  O29  1  0.416  0.263  0.541  1.0
  O  O30  1  0.084  0.263  0.041  1.0
  O  O31  1  0.584  0.737  0.459  1.0
[/CIF]
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