The structure described by PrHSO5 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), 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 one Pr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Pr(1) and one H(1) atom. is represented by the CIF card [CIF]
data_PrHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.558
_cell_length_b   12.632
_cell_length_c   7.170
_cell_angle_alpha   90.000
_cell_angle_beta   111.428
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.315
_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
  Pr  Pr0  1  0.339  0.934  0.698  1.0
  Pr  Pr1  1  0.339  0.566  0.198  1.0
  Pr  Pr2  1  0.661  0.066  0.302  1.0
  Pr  Pr3  1  0.661  0.434  0.802  1.0
  H  H4  1  0.306  0.152  0.537  1.0
  H  H5  1  0.306  0.348  0.037  1.0
  H  H6  1  0.694  0.848  0.463  1.0
  H  H7  1  0.694  0.652  0.963  1.0
  S  S8  1  0.095  0.855  0.112  1.0
  S  S9  1  0.095  0.645  0.612  1.0
  S  S10  1  0.905  0.145  0.888  1.0
  S  S11  1  0.905  0.355  0.388  1.0
  O  O12  1  0.805  0.835  0.940  1.0
  O  O13  1  0.805  0.665  0.440  1.0
  O  O14  1  0.195  0.165  0.060  1.0
  O  O15  1  0.195  0.335  0.560  1.0
  O  O16  1  0.303  0.930  0.050  1.0
  O  O17  1  0.303  0.570  0.550  1.0
  O  O18  1  0.697  0.070  0.950  1.0
  O  O19  1  0.697  0.430  0.450  1.0
  O  O20  1  0.271  0.756  0.183  1.0
  O  O21  1  0.271  0.744  0.683  1.0
  O  O22  1  0.729  0.244  0.817  1.0
  O  O23  1  0.729  0.256  0.317  1.0
  O  O24  1  0.029  0.905  0.281  1.0
  O  O25  1  0.029  0.595  0.781  1.0
  O  O26  1  0.971  0.095  0.719  1.0
  O  O27  1  0.971  0.405  0.219  1.0
  O  O28  1  0.266  0.085  0.463  1.0
  O  O29  1  0.266  0.415  0.963  1.0
  O  O30  1  0.734  0.915  0.537  1.0
  O  O31  1  0.734  0.585  0.037  1.0
[/CIF]
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The structure described by PrHSO5 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), 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 one Pr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Pr(1) and one H(1) atom. is represented by the CIF card [CIF]
data_PrHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.558
_cell_length_b   12.632
_cell_length_c   7.170
_cell_angle_alpha   90.000
_cell_angle_beta   111.428
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.315
_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
  Pr  Pr0  1  0.339  0.934  0.698  1.0
  Pr  Pr1  1  0.339  0.566  0.198  1.0
  Pr  Pr2  1  0.661  0.066  0.302  1.0
  Pr  Pr3  1  0.661  0.434  0.802  1.0
  H  H4  1  0.306  0.152  0.537  1.0
  H  H5  1  0.306  0.348  0.037  1.0
  H  H6  1  0.694  0.848  0.463  1.0
  H  H7  1  0.694  0.652  0.963  1.0
  S  S8  1  0.095  0.855  0.112  1.0
  S  S9  1  0.095  0.645  0.612  1.0
  S  S10  1  0.905  0.145  0.888  1.0
  S  S11  1  0.905  0.355  0.388  1.0
  O  O12  1  0.805  0.835  0.940  1.0
  O  O13  1  0.805  0.665  0.440  1.0
  O  O14  1  0.195  0.165  0.060  1.0
  O  O15  1  0.195  0.335  0.560  1.0
  O  O16  1  0.303  0.930  0.050  1.0
  O  O17  1  0.303  0.570  0.550  1.0
  O  O18  1  0.697  0.070  0.950  1.0
  O  O19  1  0.697  0.430  0.450  1.0
  O  O20  1  0.271  0.756  0.183  1.0
  O  O21  1  0.271  0.744  0.683  1.0
  O  O22  1  0.729  0.244  0.817  1.0
  O  O23  1  0.729  0.256  0.317  1.0
  O  O24  1  0.029  0.905  0.281  1.0
  O  O25  1  0.029  0.595  0.781  1.0
  O  O26  1  0.971  0.095  0.719  1.0
  O  O27  1  0.971  0.405  0.219  1.0
  O  O28  1  0.266  0.085  0.463  1.0
  O  O29  1  0.266  0.415  0.963  1.0
  O  O30  1  0.734  0.915  0.537  1.0
  O  O31  1  0.734  0.585  0.037  1.0
[/CIF]
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