The structure described by Pr3S4 crystallizes in the cubic I-43d space group. Pr(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing PrS8 hexagonal bipyramids. S(1) is bonded to six equivalent Pr(1) atoms to form a mixture of distorted face, corner, and edge-sharing SPr6 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the CIF file [CIF]
data_Pr3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.494
_cell_length_b   7.494
_cell_length_c   7.494
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   323.924
_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
  Pr  Pr0  1  0.750  0.875  0.125  1.0
  Pr  Pr1  1  0.625  0.375  0.250  1.0
  Pr  Pr2  1  0.875  0.125  0.750  1.0
  Pr  Pr3  1  0.125  0.750  0.875  1.0
  Pr  Pr4  1  0.375  0.250  0.625  1.0
  Pr  Pr5  1  0.250  0.625  0.375  1.0
  S  S6  1  0.649  0.649  0.649  1.0
  S  S7  1  0.351  0.500  0.000  1.0
  S  S8  1  0.500  0.000  0.351  1.0
  S  S9  1  0.000  0.351  0.500  1.0
  S  S10  1  0.500  0.000  0.851  1.0
  S  S11  1  0.000  0.851  0.500  1.0
  S  S12  1  0.149  0.149  0.149  1.0
  S  S13  1  0.851  0.500  0.000  1.0
[/CIF]
.
The structure described by Pr3S4 crystallizes in the cubic I-43d space group. Pr(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing PrS8 hexagonal bipyramids. S(1) is bonded to six equivalent Pr(1) atoms to form a mixture of distorted face, corner, and edge-sharing SPr6 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the CIF file [CIF]
data_Pr3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.494
_cell_length_b   7.494
_cell_length_c   7.494
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   323.924
_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
  Pr  Pr0  1  0.750  0.875  0.125  1.0
  Pr  Pr1  1  0.625  0.375  0.250  1.0
  Pr  Pr2  1  0.875  0.125  0.750  1.0
  Pr  Pr3  1  0.125  0.750  0.875  1.0
  Pr  Pr4  1  0.375  0.250  0.625  1.0
  Pr  Pr5  1  0.250  0.625  0.375  1.0
  S  S6  1  0.649  0.649  0.649  1.0
  S  S7  1  0.351  0.500  0.000  1.0
  S  S8  1  0.500  0.000  0.351  1.0
  S  S9  1  0.000  0.351  0.500  1.0
  S  S10  1  0.500  0.000  0.851  1.0
  S  S11  1  0.000  0.851  0.500  1.0
  S  S12  1  0.149  0.149  0.149  1.0
  S  S13  1  0.851  0.500  0.000  1.0
[/CIF]
.