The compound described by Pr3FeInS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. In(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and two equivalent Fe(1) atoms to form SPr3Fe2 square pyramids that share corners with two equivalent S(1)Pr3Fe2 square pyramids, corners with three equivalent S(3)Pr3In tetrahedra, edges with four equivalent S(1)Pr3Fe2 square pyramids, and faces with two equivalent S(1)Pr3Fe2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Pr(1) and one In(1) atom. In the third S site, S(3) is bonded to three equivalent Pr(1) and one In(1) atom to form corner-sharing SPr3In tetrahedra. is represented by the CIF file [CIF]
data_Pr3InFeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.069
_cell_length_b   10.069
_cell_length_c   6.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.950
_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  0.846  0.220  0.319  1.0
  Pr  Pr1  1  0.780  0.626  0.319  1.0
  Pr  Pr2  1  0.374  0.154  0.319  1.0
  Pr  Pr3  1  0.154  0.780  0.819  1.0
  Pr  Pr4  1  0.220  0.374  0.819  1.0
  Pr  Pr5  1  0.626  0.846  0.819  1.0
  In  In6  1  0.333  0.667  0.390  1.0
  In  In7  1  0.667  0.333  0.890  1.0
  Fe  Fe8  1  0.000  0.000  0.477  1.0
  Fe  Fe9  1  0.000  0.000  0.977  1.0
  S  S10  1  0.128  0.224  0.219  1.0
  S  S11  1  0.776  0.904  0.219  1.0
  S  S12  1  0.096  0.872  0.219  1.0
  S  S13  1  0.872  0.776  0.719  1.0
  S  S14  1  0.224  0.096  0.719  1.0
  S  S15  1  0.904  0.128  0.719  1.0
  S  S16  1  0.566  0.081  0.059  1.0
  S  S17  1  0.919  0.485  0.059  1.0
  S  S18  1  0.515  0.434  0.059  1.0
  S  S19  1  0.434  0.919  0.559  1.0
  S  S20  1  0.081  0.515  0.559  1.0
  S  S21  1  0.485  0.566  0.559  1.0
  S  S22  1  0.333  0.667  0.012  1.0
  S  S23  1  0.667  0.333  0.512  1.0
[/CIF]
.
The compound described by Pr3FeInS7 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. In(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and two equivalent Fe(1) atoms to form SPr3Fe2 square pyramids that share corners with two equivalent S(1)Pr3Fe2 square pyramids, corners with three equivalent S(3)Pr3In tetrahedra, edges with four equivalent S(1)Pr3Fe2 square pyramids, and faces with two equivalent S(1)Pr3Fe2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Pr(1) and one In(1) atom. In the third S site, S(3) is bonded to three equivalent Pr(1) and one In(1) atom to form corner-sharing SPr3In tetrahedra. is represented by the CIF file [CIF]
data_Pr3InFeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.069
_cell_length_b   10.069
_cell_length_c   6.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.950
_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  0.846  0.220  0.319  1.0
  Pr  Pr1  1  0.780  0.626  0.319  1.0
  Pr  Pr2  1  0.374  0.154  0.319  1.0
  Pr  Pr3  1  0.154  0.780  0.819  1.0
  Pr  Pr4  1  0.220  0.374  0.819  1.0
  Pr  Pr5  1  0.626  0.846  0.819  1.0
  In  In6  1  0.333  0.667  0.390  1.0
  In  In7  1  0.667  0.333  0.890  1.0
  Fe  Fe8  1  0.000  0.000  0.477  1.0
  Fe  Fe9  1  0.000  0.000  0.977  1.0
  S  S10  1  0.128  0.224  0.219  1.0
  S  S11  1  0.776  0.904  0.219  1.0
  S  S12  1  0.096  0.872  0.219  1.0
  S  S13  1  0.872  0.776  0.719  1.0
  S  S14  1  0.224  0.096  0.719  1.0
  S  S15  1  0.904  0.128  0.719  1.0
  S  S16  1  0.566  0.081  0.059  1.0
  S  S17  1  0.919  0.485  0.059  1.0
  S  S18  1  0.515  0.434  0.059  1.0
  S  S19  1  0.434  0.919  0.559  1.0
  S  S20  1  0.081  0.515  0.559  1.0
  S  S21  1  0.485  0.566  0.559  1.0
  S  S22  1  0.333  0.667  0.012  1.0
  S  S23  1  0.667  0.333  0.512  1.0
[/CIF]
.