The structure described by Pr3NS3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one N(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to two equivalent N(1), one S(2), one S(3), and three equivalent S(1) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one N(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. N(1) is bonded to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms to form NPr4 tetrahedra that share corners with three equivalent S(3)Pr6 octahedra, corners with two equivalent S(1)Pr5 square pyramids, corners with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent S(3)Pr6 octahedra, and edges with three equivalent S(1)Pr5 square pyramids. The corner-sharing octahedral tilt angles range from 12-42°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(3) and three equivalent Pr(2) atoms to form distorted SPr5 square pyramids that share corners with five equivalent S(3)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra,  an edgeedge with one S(3)Pr6 octahedra, edges with four equivalent S(1)Pr5 square pyramids, and edges with three equivalent N(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Pr(2), two equivalent Pr(1), and two equivalent Pr(3) atoms. In the third S site, S(3) is bonded to one Pr(2), two equivalent Pr(3), and three equivalent Pr(1) atoms to form distorted SPr6 octahedra that share corners with five equivalent S(1)Pr5 square pyramids, corners with three equivalent N(1)Pr4 tetrahedra, edges with four equivalent S(3)Pr6 octahedra,  an edgeedge with one S(1)Pr5 square pyramid, and edges with two equivalent N(1)Pr4 tetrahedra. is represented by the CIF card [CIF]
data_Pr3S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   12.311
_cell_length_c   13.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.364
_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  0.250  0.084  0.373  1.0
  Pr  Pr1  1  0.250  0.040  0.851  1.0
  Pr  Pr2  1  0.750  0.960  0.149  1.0
  Pr  Pr3  1  0.250  0.723  0.367  1.0
  Pr  Pr4  1  0.250  0.584  0.127  1.0
  Pr  Pr5  1  0.750  0.777  0.867  1.0
  Pr  Pr6  1  0.250  0.540  0.649  1.0
  Pr  Pr7  1  0.750  0.460  0.351  1.0
  Pr  Pr8  1  0.750  0.416  0.873  1.0
  Pr  Pr9  1  0.250  0.223  0.133  1.0
  Pr  Pr10  1  0.750  0.277  0.633  1.0
  Pr  Pr11  1  0.750  0.916  0.627  1.0
  S  S12  1  0.250  0.860  0.997  1.0
  S  S13  1  0.750  0.640  0.497  1.0
  S  S14  1  0.250  0.360  0.503  1.0
  S  S15  1  0.750  0.731  0.198  1.0
  S  S16  1  0.750  0.419  0.107  1.0
  S  S17  1  0.750  0.140  0.003  1.0
  S  S18  1  0.750  0.919  0.393  1.0
  S  S19  1  0.250  0.269  0.802  1.0
  S  S20  1  0.750  0.231  0.302  1.0
  S  S21  1  0.250  0.769  0.698  1.0
  S  S22  1  0.250  0.581  0.893  1.0
  S  S23  1  0.250  0.081  0.607  1.0
  N  N24  1  0.250  0.047  0.202  1.0
  N  N25  1  0.250  0.547  0.298  1.0
  N  N26  1  0.750  0.953  0.798  1.0
  N  N27  1  0.750  0.453  0.702  1.0
[/CIF]
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The structure described by Pr3NS3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one N(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to two equivalent N(1), one S(2), one S(3), and three equivalent S(1) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one N(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. N(1) is bonded to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms to form NPr4 tetrahedra that share corners with three equivalent S(3)Pr6 octahedra, corners with two equivalent S(1)Pr5 square pyramids, corners with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent S(3)Pr6 octahedra, and edges with three equivalent S(1)Pr5 square pyramids. The corner-sharing octahedral tilt angles range from 12-42°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(3) and three equivalent Pr(2) atoms to form distorted SPr5 square pyramids that share corners with five equivalent S(3)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra,  an edgeedge with one S(3)Pr6 octahedra, edges with four equivalent S(1)Pr5 square pyramids, and edges with three equivalent N(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Pr(2), two equivalent Pr(1), and two equivalent Pr(3) atoms. In the third S site, S(3) is bonded to one Pr(2), two equivalent Pr(3), and three equivalent Pr(1) atoms to form distorted SPr6 octahedra that share corners with five equivalent S(1)Pr5 square pyramids, corners with three equivalent N(1)Pr4 tetrahedra, edges with four equivalent S(3)Pr6 octahedra,  an edgeedge with one S(1)Pr5 square pyramid, and edges with two equivalent N(1)Pr4 tetrahedra. is represented by the CIF card [CIF]
data_Pr3S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   12.311
_cell_length_c   13.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.364
_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  0.250  0.084  0.373  1.0
  Pr  Pr1  1  0.250  0.040  0.851  1.0
  Pr  Pr2  1  0.750  0.960  0.149  1.0
  Pr  Pr3  1  0.250  0.723  0.367  1.0
  Pr  Pr4  1  0.250  0.584  0.127  1.0
  Pr  Pr5  1  0.750  0.777  0.867  1.0
  Pr  Pr6  1  0.250  0.540  0.649  1.0
  Pr  Pr7  1  0.750  0.460  0.351  1.0
  Pr  Pr8  1  0.750  0.416  0.873  1.0
  Pr  Pr9  1  0.250  0.223  0.133  1.0
  Pr  Pr10  1  0.750  0.277  0.633  1.0
  Pr  Pr11  1  0.750  0.916  0.627  1.0
  S  S12  1  0.250  0.860  0.997  1.0
  S  S13  1  0.750  0.640  0.497  1.0
  S  S14  1  0.250  0.360  0.503  1.0
  S  S15  1  0.750  0.731  0.198  1.0
  S  S16  1  0.750  0.419  0.107  1.0
  S  S17  1  0.750  0.140  0.003  1.0
  S  S18  1  0.750  0.919  0.393  1.0
  S  S19  1  0.250  0.269  0.802  1.0
  S  S20  1  0.750  0.231  0.302  1.0
  S  S21  1  0.250  0.769  0.698  1.0
  S  S22  1  0.250  0.581  0.893  1.0
  S  S23  1  0.250  0.081  0.607  1.0
  N  N24  1  0.250  0.047  0.202  1.0
  N  N25  1  0.250  0.547  0.298  1.0
  N  N26  1  0.750  0.953  0.798  1.0
  N  N27  1  0.750  0.453  0.702  1.0
[/CIF]
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