The material described by KPr(SO4)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Pr(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1), one Pr(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent K(1), one Pr(1), and one S(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(1) atom. is represented by the CIF file [CIF]
data_KPr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.502
_cell_length_b   7.063
_cell_length_c   8.632
_cell_angle_alpha   85.825
_cell_angle_beta   88.629
_cell_angle_gamma   88.392
_symmetry_Int_Tables_number   1
_cell_volume   334.323
_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
  K  K0  1  0.247  0.653  0.313  1.0
  K  K1  1  0.753  0.347  0.687  1.0
  Pr  Pr2  1  0.812  0.181  0.206  1.0
  Pr  Pr3  1  0.188  0.819  0.794  1.0
  S  S4  1  0.721  0.701  0.047  1.0
  S  S5  1  0.279  0.299  0.953  1.0
  S  S6  1  0.257  0.173  0.430  1.0
  S  S7  1  0.743  0.827  0.570  1.0
  O  O8  1  0.272  0.077  0.587  1.0
  O  O9  1  0.223  0.038  0.307  1.0
  O  O10  1  0.777  0.962  0.693  1.0
  O  O11  1  0.728  0.923  0.413  1.0
  O  O12  1  0.532  0.228  0.988  1.0
  O  O13  1  0.840  0.628  0.905  1.0
  O  O14  1  0.160  0.372  0.095  1.0
  O  O15  1  0.962  0.694  0.577  1.0
  O  O16  1  0.712  0.551  0.175  1.0
  O  O17  1  0.038  0.306  0.423  1.0
  O  O18  1  0.482  0.284  0.394  1.0
  O  O19  1  0.870  0.863  0.090  1.0
  O  O20  1  0.130  0.137  0.910  1.0
  O  O21  1  0.288  0.449  0.825  1.0
  O  O22  1  0.468  0.772  0.012  1.0
  O  O23  1  0.518  0.716  0.606  1.0
[/CIF]
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The material described by KPr(SO4)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Pr(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1), one Pr(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent K(1), one Pr(1), and one S(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one Pr(1), and one S(1) atom. is represented by the CIF file [CIF]
data_KPr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.502
_cell_length_b   7.063
_cell_length_c   8.632
_cell_angle_alpha   85.825
_cell_angle_beta   88.629
_cell_angle_gamma   88.392
_symmetry_Int_Tables_number   1
_cell_volume   334.323
_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
  K  K0  1  0.247  0.653  0.313  1.0
  K  K1  1  0.753  0.347  0.687  1.0
  Pr  Pr2  1  0.812  0.181  0.206  1.0
  Pr  Pr3  1  0.188  0.819  0.794  1.0
  S  S4  1  0.721  0.701  0.047  1.0
  S  S5  1  0.279  0.299  0.953  1.0
  S  S6  1  0.257  0.173  0.430  1.0
  S  S7  1  0.743  0.827  0.570  1.0
  O  O8  1  0.272  0.077  0.587  1.0
  O  O9  1  0.223  0.038  0.307  1.0
  O  O10  1  0.777  0.962  0.693  1.0
  O  O11  1  0.728  0.923  0.413  1.0
  O  O12  1  0.532  0.228  0.988  1.0
  O  O13  1  0.840  0.628  0.905  1.0
  O  O14  1  0.160  0.372  0.095  1.0
  O  O15  1  0.962  0.694  0.577  1.0
  O  O16  1  0.712  0.551  0.175  1.0
  O  O17  1  0.038  0.306  0.423  1.0
  O  O18  1  0.482  0.284  0.394  1.0
  O  O19  1  0.870  0.863  0.090  1.0
  O  O20  1  0.130  0.137  0.910  1.0
  O  O21  1  0.288  0.449  0.825  1.0
  O  O22  1  0.468  0.772  0.012  1.0
  O  O23  1  0.518  0.716  0.606  1.0
[/CIF]
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