The structure described by PrH3(SO4)3 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(3) 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 four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a water-like geometry to one H(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrH3(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.655
_cell_length_b   9.655
_cell_length_c   5.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   477.931
_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
  Pr  Pr0  1  0.333  0.667  0.752  1.0
  Pr  Pr1  1  0.667  0.333  0.252  1.0
  H  H2  1  0.165  0.223  0.634  1.0
  H  H3  1  0.777  0.942  0.634  1.0
  H  H4  1  0.058  0.835  0.634  1.0
  H  H5  1  0.835  0.777  0.134  1.0
  H  H6  1  0.223  0.058  0.134  1.0
  H  H7  1  0.942  0.165  0.134  1.0
  S  S8  1  0.401  0.304  0.749  1.0
  S  S9  1  0.696  0.097  0.749  1.0
  S  S10  1  0.903  0.599  0.749  1.0
  S  S11  1  0.599  0.696  0.249  1.0
  S  S12  1  0.304  0.903  0.249  1.0
  S  S13  1  0.097  0.401  0.249  1.0
  O  O14  1  0.255  0.806  0.456  1.0
  O  O15  1  0.194  0.449  0.456  1.0
  O  O16  1  0.551  0.745  0.456  1.0
  O  O17  1  0.745  0.194  0.956  1.0
  O  O18  1  0.806  0.551  0.956  1.0
  O  O19  1  0.449  0.255  0.956  1.0
  O  O20  1  0.737  0.196  0.546  1.0
  O  O21  1  0.804  0.541  0.546  1.0
  O  O22  1  0.459  0.263  0.546  1.0
  O  O23  1  0.263  0.804  0.046  1.0
  O  O24  1  0.196  0.459  0.046  1.0
  O  O25  1  0.541  0.737  0.046  1.0
  O  O26  1  0.211  0.188  0.754  1.0
  O  O27  1  0.812  0.023  0.754  1.0
  O  O28  1  0.977  0.789  0.754  1.0
  O  O29  1  0.789  0.812  0.254  1.0
  O  O30  1  0.188  0.977  0.254  1.0
  O  O31  1  0.023  0.211  0.254  1.0
  O  O32  1  0.433  0.468  0.749  1.0
  O  O33  1  0.532  0.965  0.749  1.0
  O  O34  1  0.035  0.567  0.749  1.0
  O  O35  1  0.567  0.532  0.249  1.0
  O  O36  1  0.468  0.035  0.249  1.0
  O  O37  1  0.965  0.433  0.249  1.0
[/CIF]
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The structure described by PrH3(SO4)3 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(3) 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 four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a water-like geometry to one H(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrH3(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.655
_cell_length_b   9.655
_cell_length_c   5.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   477.931
_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
  Pr  Pr0  1  0.333  0.667  0.752  1.0
  Pr  Pr1  1  0.667  0.333  0.252  1.0
  H  H2  1  0.165  0.223  0.634  1.0
  H  H3  1  0.777  0.942  0.634  1.0
  H  H4  1  0.058  0.835  0.634  1.0
  H  H5  1  0.835  0.777  0.134  1.0
  H  H6  1  0.223  0.058  0.134  1.0
  H  H7  1  0.942  0.165  0.134  1.0
  S  S8  1  0.401  0.304  0.749  1.0
  S  S9  1  0.696  0.097  0.749  1.0
  S  S10  1  0.903  0.599  0.749  1.0
  S  S11  1  0.599  0.696  0.249  1.0
  S  S12  1  0.304  0.903  0.249  1.0
  S  S13  1  0.097  0.401  0.249  1.0
  O  O14  1  0.255  0.806  0.456  1.0
  O  O15  1  0.194  0.449  0.456  1.0
  O  O16  1  0.551  0.745  0.456  1.0
  O  O17  1  0.745  0.194  0.956  1.0
  O  O18  1  0.806  0.551  0.956  1.0
  O  O19  1  0.449  0.255  0.956  1.0
  O  O20  1  0.737  0.196  0.546  1.0
  O  O21  1  0.804  0.541  0.546  1.0
  O  O22  1  0.459  0.263  0.546  1.0
  O  O23  1  0.263  0.804  0.046  1.0
  O  O24  1  0.196  0.459  0.046  1.0
  O  O25  1  0.541  0.737  0.046  1.0
  O  O26  1  0.211  0.188  0.754  1.0
  O  O27  1  0.812  0.023  0.754  1.0
  O  O28  1  0.977  0.789  0.754  1.0
  O  O29  1  0.789  0.812  0.254  1.0
  O  O30  1  0.188  0.977  0.254  1.0
  O  O31  1  0.023  0.211  0.254  1.0
  O  O32  1  0.433  0.468  0.749  1.0
  O  O33  1  0.532  0.965  0.749  1.0
  O  O34  1  0.035  0.567  0.749  1.0
  O  O35  1  0.567  0.532  0.249  1.0
  O  O36  1  0.468  0.035  0.249  1.0
  O  O37  1  0.965  0.433  0.249  1.0
[/CIF]
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