The structure described by Pr2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one S(1), three equivalent S(2), and three equivalent S(3) atoms to form distorted edge-sharing PrS7 pentagonal bipyramids. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pr(1) and four equivalent Pr(2) atoms to form a mixture of distorted edge, corner, and face-sharing SPr5 square pyramids. In the second S site, S(2) is bonded to two equivalent Pr(2) and three equivalent Pr(1) atoms to form a mixture of distorted edge, corner, and face-sharing SPr5 trigonal bipyramids. In the third S site, S(3) 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. is represented by the CIF card [CIF]
data_Pr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.094
_cell_length_b   7.565
_cell_length_c   15.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.706
_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  0.765  0.544  1.0
  Pr  Pr1  1  0.750  0.235  0.456  1.0
  Pr  Pr2  1  0.250  0.265  0.956  1.0
  Pr  Pr3  1  0.750  0.735  0.044  1.0
  Pr  Pr4  1  0.250  0.645  0.296  1.0
  Pr  Pr5  1  0.750  0.355  0.704  1.0
  Pr  Pr6  1  0.250  0.145  0.204  1.0
  Pr  Pr7  1  0.750  0.855  0.796  1.0
  S  S8  1  0.250  0.646  0.719  1.0
  S  S9  1  0.750  0.354  0.281  1.0
  S  S10  1  0.250  0.146  0.781  1.0
  S  S11  1  0.750  0.854  0.219  1.0
  S  S12  1  0.250  0.873  0.933  1.0
  S  S13  1  0.750  0.127  0.067  1.0
  S  S14  1  0.250  0.373  0.567  1.0
  S  S15  1  0.750  0.627  0.433  1.0
  S  S16  1  0.750  0.990  0.609  1.0
  S  S17  1  0.250  0.010  0.391  1.0
  S  S18  1  0.750  0.490  0.891  1.0
  S  S19  1  0.250  0.510  0.109  1.0
[/CIF]
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The structure described by Pr2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one S(1), three equivalent S(2), and three equivalent S(3) atoms to form distorted edge-sharing PrS7 pentagonal bipyramids. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pr(1) and four equivalent Pr(2) atoms to form a mixture of distorted edge, corner, and face-sharing SPr5 square pyramids. In the second S site, S(2) is bonded to two equivalent Pr(2) and three equivalent Pr(1) atoms to form a mixture of distorted edge, corner, and face-sharing SPr5 trigonal bipyramids. In the third S site, S(3) 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. is represented by the CIF card [CIF]
data_Pr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.094
_cell_length_b   7.565
_cell_length_c   15.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.706
_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  0.765  0.544  1.0
  Pr  Pr1  1  0.750  0.235  0.456  1.0
  Pr  Pr2  1  0.250  0.265  0.956  1.0
  Pr  Pr3  1  0.750  0.735  0.044  1.0
  Pr  Pr4  1  0.250  0.645  0.296  1.0
  Pr  Pr5  1  0.750  0.355  0.704  1.0
  Pr  Pr6  1  0.250  0.145  0.204  1.0
  Pr  Pr7  1  0.750  0.855  0.796  1.0
  S  S8  1  0.250  0.646  0.719  1.0
  S  S9  1  0.750  0.354  0.281  1.0
  S  S10  1  0.250  0.146  0.781  1.0
  S  S11  1  0.750  0.854  0.219  1.0
  S  S12  1  0.250  0.873  0.933  1.0
  S  S13  1  0.750  0.127  0.067  1.0
  S  S14  1  0.250  0.373  0.567  1.0
  S  S15  1  0.750  0.627  0.433  1.0
  S  S16  1  0.750  0.990  0.609  1.0
  S  S17  1  0.250  0.010  0.391  1.0
  S  S18  1  0.750  0.490  0.891  1.0
  S  S19  1  0.250  0.510  0.109  1.0
[/CIF]
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