The structure described by Pr2S3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing PrS8 hexagonal bipyramids. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. In the third Pr site, Pr(3) is bonded to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing PrS8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pr(3), two equivalent Pr(1), and two equivalent Pr(2) atoms to form SPr5 trigonal bipyramids that share corners with five equivalent S(2)Pr6 octahedra, corners with four equivalent S(3)Pr5 square pyramids, corners with four equivalent S(1)Pr5 trigonal bipyramids, edges with three equivalent S(2)Pr6 octahedra, edges with four equivalent S(3)Pr5 square pyramids,  an edgeedge with one S(1)Pr5 trigonal bipyramid,  a faceface with one S(2)Pr6 octahedra, and  a faceface with one S(1)Pr5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-50°. In the second S site, S(2) is bonded to one Pr(1), two equivalent Pr(3), and three equivalent Pr(2) atoms to form distorted SPr6 octahedra that share corners with three equivalent S(2)Pr6 octahedra, corners with seven equivalent S(3)Pr5 square pyramids, corners with five equivalent S(1)Pr5 trigonal bipyramids, edges with two equivalent S(2)Pr6 octahedra,  an edgeedge with one S(3)Pr5 square pyramid, edges with three equivalent S(1)Pr5 trigonal bipyramids, faces with two equivalent S(2)Pr6 octahedra, faces with two equivalent S(3)Pr5 square pyramids, and  a faceface with one S(1)Pr5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-48°. In the third S site, S(3) is bonded to one Pr(1), one Pr(3), and three equivalent Pr(2) atoms to form distorted SPr5 square pyramids that share corners with seven equivalent S(2)Pr6 octahedra, corners with five equivalent S(3)Pr5 square pyramids, corners with four equivalent S(1)Pr5 trigonal bipyramids,  an edgeedge with one S(2)Pr6 octahedra, edges with four equivalent S(1)Pr5 trigonal bipyramids, faces with two equivalent S(2)Pr6 octahedra, and  a faceface with one S(3)Pr5 square pyramid. The corner-sharing octahedral tilt angles range from 12-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.499
_cell_length_b   8.671
_cell_length_c   8.671
_cell_angle_alpha   89.996
_cell_angle_beta   54.685
_cell_angle_gamma   54.685
_symmetry_Int_Tables_number   1
_cell_volume   974.188
_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  0.167  0.250  0.130  1.0
  Pr  Pr1  1  0.995  0.619  0.749  1.0
  Pr  Pr2  1  0.086  0.121  0.871  1.0
  Pr  Pr3  1  0.167  0.750  0.370  1.0
  Pr  Pr4  1  0.247  0.379  0.629  1.0
  Pr  Pr5  1  0.339  0.881  0.233  1.0
  Pr  Pr6  1  0.495  0.249  0.119  1.0
  Pr  Pr7  1  0.339  0.603  0.751  1.0
  Pr  Pr8  1  0.495  0.767  0.397  1.0
  Pr  Pr9  1  0.586  0.371  0.621  1.0
  Pr  Pr10  1  0.839  0.251  0.103  1.0
  Pr  Pr11  1  0.667  0.870  0.250  1.0
  Pr  Pr12  1  0.667  0.630  0.750  1.0
  Pr  Pr13  1  0.747  0.129  0.879  1.0
  Pr  Pr14  1  0.839  0.733  0.381  1.0
  Pr  Pr15  1  0.995  0.897  0.267  1.0
  S  S16  1  0.127  0.987  0.127  1.0
  S  S17  1  0.050  0.498  0.995  1.0
  S  S18  1  0.127  0.132  0.491  1.0
  S  S19  1  0.206  0.514  0.009  1.0
  S  S20  1  0.206  0.368  0.373  1.0
  S  S21  1  0.050  0.852  0.854  1.0
  S  S22  1  0.283  0.002  0.646  1.0
  S  S23  1  0.450  0.996  0.156  1.0
  S  S24  1  0.384  0.505  0.004  1.0
  S  S25  1  0.283  0.648  0.504  1.0
  S  S26  1  0.449  0.156  0.495  1.0
  S  S27  1  0.550  0.495  0.998  1.0
  S  S28  1  0.550  0.354  0.352  1.0
  S  S29  1  0.384  0.844  0.844  1.0
  S  S30  1  0.627  0.991  0.632  1.0
  S  S31  1  0.783  0.004  0.148  1.0
  S  S32  1  0.706  0.509  0.014  1.0
  S  S33  1  0.627  0.627  0.487  1.0
  S  S34  1  0.783  0.146  0.502  1.0
  S  S35  1  0.884  0.504  0.005  1.0
  S  S36  1  0.884  0.344  0.344  1.0
  S  S37  1  0.706  0.873  0.868  1.0
  S  S38  1  0.949  0.995  0.656  1.0
  S  S39  1  0.950  0.656  0.496  1.0
[/CIF]
.
The structure described by Pr2S3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing PrS8 hexagonal bipyramids. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. In the third Pr site, Pr(3) is bonded to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing PrS8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pr(3), two equivalent Pr(1), and two equivalent Pr(2) atoms to form SPr5 trigonal bipyramids that share corners with five equivalent S(2)Pr6 octahedra, corners with four equivalent S(3)Pr5 square pyramids, corners with four equivalent S(1)Pr5 trigonal bipyramids, edges with three equivalent S(2)Pr6 octahedra, edges with four equivalent S(3)Pr5 square pyramids,  an edgeedge with one S(1)Pr5 trigonal bipyramid,  a faceface with one S(2)Pr6 octahedra, and  a faceface with one S(1)Pr5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-50°. In the second S site, S(2) is bonded to one Pr(1), two equivalent Pr(3), and three equivalent Pr(2) atoms to form distorted SPr6 octahedra that share corners with three equivalent S(2)Pr6 octahedra, corners with seven equivalent S(3)Pr5 square pyramids, corners with five equivalent S(1)Pr5 trigonal bipyramids, edges with two equivalent S(2)Pr6 octahedra,  an edgeedge with one S(3)Pr5 square pyramid, edges with three equivalent S(1)Pr5 trigonal bipyramids, faces with two equivalent S(2)Pr6 octahedra, faces with two equivalent S(3)Pr5 square pyramids, and  a faceface with one S(1)Pr5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-48°. In the third S site, S(3) is bonded to one Pr(1), one Pr(3), and three equivalent Pr(2) atoms to form distorted SPr5 square pyramids that share corners with seven equivalent S(2)Pr6 octahedra, corners with five equivalent S(3)Pr5 square pyramids, corners with four equivalent S(1)Pr5 trigonal bipyramids,  an edgeedge with one S(2)Pr6 octahedra, edges with four equivalent S(1)Pr5 trigonal bipyramids, faces with two equivalent S(2)Pr6 octahedra, and  a faceface with one S(3)Pr5 square pyramid. The corner-sharing octahedral tilt angles range from 12-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.499
_cell_length_b   8.671
_cell_length_c   8.671
_cell_angle_alpha   89.996
_cell_angle_beta   54.685
_cell_angle_gamma   54.685
_symmetry_Int_Tables_number   1
_cell_volume   974.188
_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  0.167  0.250  0.130  1.0
  Pr  Pr1  1  0.995  0.619  0.749  1.0
  Pr  Pr2  1  0.086  0.121  0.871  1.0
  Pr  Pr3  1  0.167  0.750  0.370  1.0
  Pr  Pr4  1  0.247  0.379  0.629  1.0
  Pr  Pr5  1  0.339  0.881  0.233  1.0
  Pr  Pr6  1  0.495  0.249  0.119  1.0
  Pr  Pr7  1  0.339  0.603  0.751  1.0
  Pr  Pr8  1  0.495  0.767  0.397  1.0
  Pr  Pr9  1  0.586  0.371  0.621  1.0
  Pr  Pr10  1  0.839  0.251  0.103  1.0
  Pr  Pr11  1  0.667  0.870  0.250  1.0
  Pr  Pr12  1  0.667  0.630  0.750  1.0
  Pr  Pr13  1  0.747  0.129  0.879  1.0
  Pr  Pr14  1  0.839  0.733  0.381  1.0
  Pr  Pr15  1  0.995  0.897  0.267  1.0
  S  S16  1  0.127  0.987  0.127  1.0
  S  S17  1  0.050  0.498  0.995  1.0
  S  S18  1  0.127  0.132  0.491  1.0
  S  S19  1  0.206  0.514  0.009  1.0
  S  S20  1  0.206  0.368  0.373  1.0
  S  S21  1  0.050  0.852  0.854  1.0
  S  S22  1  0.283  0.002  0.646  1.0
  S  S23  1  0.450  0.996  0.156  1.0
  S  S24  1  0.384  0.505  0.004  1.0
  S  S25  1  0.283  0.648  0.504  1.0
  S  S26  1  0.449  0.156  0.495  1.0
  S  S27  1  0.550  0.495  0.998  1.0
  S  S28  1  0.550  0.354  0.352  1.0
  S  S29  1  0.384  0.844  0.844  1.0
  S  S30  1  0.627  0.991  0.632  1.0
  S  S31  1  0.783  0.004  0.148  1.0
  S  S32  1  0.706  0.509  0.014  1.0
  S  S33  1  0.627  0.627  0.487  1.0
  S  S34  1  0.783  0.146  0.502  1.0
  S  S35  1  0.884  0.504  0.005  1.0
  S  S36  1  0.884  0.344  0.344  1.0
  S  S37  1  0.706  0.873  0.868  1.0
  S  S38  1  0.949  0.995  0.656  1.0
  S  S39  1  0.950  0.656  0.496  1.0
[/CIF]
.