The material structure described by PrPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(2), and three equivalent S(1) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(1), and three equivalent S(2) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent P(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(2) and three equivalent Pr(1) atoms to form a mixture of distorted edge and corner-sharing SPr5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Pr(1) and three equivalent Pr(2) atoms to form a mixture of distorted edge and corner-sharing SPr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_PrPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.634
_cell_length_c   17.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.725
_cell_formula_units_Z   8
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  0.250  0.483  0.363  1.0
  Pr  Pr1  1  0.250  0.983  0.137  1.0
  Pr  Pr2  1  0.750  0.517  0.637  1.0
  Pr  Pr3  1  0.750  0.017  0.863  1.0
  Pr  Pr4  1  0.250  0.017  0.648  1.0
  Pr  Pr5  1  0.250  0.517  0.852  1.0
  Pr  Pr6  1  0.750  0.983  0.352  1.0
  Pr  Pr7  1  0.750  0.483  0.148  1.0
  P  P8  1  0.047  0.308  0.997  1.0
  P  P9  1  0.453  0.808  0.503  1.0
  P  P10  1  0.547  0.692  0.003  1.0
  P  P11  1  0.953  0.192  0.497  1.0
  P  P12  1  0.953  0.692  0.003  1.0
  P  P13  1  0.547  0.192  0.497  1.0
  P  P14  1  0.453  0.308  0.997  1.0
  P  P15  1  0.047  0.808  0.503  1.0
  S  S16  1  0.250  0.484  0.189  1.0
  S  S17  1  0.250  0.984  0.311  1.0
  S  S18  1  0.750  0.516  0.811  1.0
  S  S19  1  0.750  0.016  0.689  1.0
  S  S20  1  0.250  0.013  0.818  1.0
  S  S21  1  0.250  0.513  0.682  1.0
  S  S22  1  0.750  0.987  0.182  1.0
  S  S23  1  0.750  0.487  0.318  1.0
[/CIF]
.
The material structure described by PrPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(2), and three equivalent S(1) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(1), and three equivalent S(2) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent P(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(2) and three equivalent Pr(1) atoms to form a mixture of distorted edge and corner-sharing SPr5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Pr(1) and three equivalent Pr(2) atoms to form a mixture of distorted edge and corner-sharing SPr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_PrPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.634
_cell_length_c   17.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.725
_cell_formula_units_Z   8
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  0.250  0.483  0.363  1.0
  Pr  Pr1  1  0.250  0.983  0.137  1.0
  Pr  Pr2  1  0.750  0.517  0.637  1.0
  Pr  Pr3  1  0.750  0.017  0.863  1.0
  Pr  Pr4  1  0.250  0.017  0.648  1.0
  Pr  Pr5  1  0.250  0.517  0.852  1.0
  Pr  Pr6  1  0.750  0.983  0.352  1.0
  Pr  Pr7  1  0.750  0.483  0.148  1.0
  P  P8  1  0.047  0.308  0.997  1.0
  P  P9  1  0.453  0.808  0.503  1.0
  P  P10  1  0.547  0.692  0.003  1.0
  P  P11  1  0.953  0.192  0.497  1.0
  P  P12  1  0.953  0.692  0.003  1.0
  P  P13  1  0.547  0.192  0.497  1.0
  P  P14  1  0.453  0.308  0.997  1.0
  P  P15  1  0.047  0.808  0.503  1.0
  S  S16  1  0.250  0.484  0.189  1.0
  S  S17  1  0.250  0.984  0.311  1.0
  S  S18  1  0.750  0.516  0.811  1.0
  S  S19  1  0.750  0.016  0.689  1.0
  S  S20  1  0.250  0.013  0.818  1.0
  S  S21  1  0.250  0.513  0.682  1.0
  S  S22  1  0.750  0.987  0.182  1.0
  S  S23  1  0.750  0.487  0.318  1.0
[/CIF]
.