The structure described by Pr7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Fe(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted PrFeI5 octahedra that share corners with three equivalent Pr(1)FeI5 octahedra,  an edgeedge with one Pr(2)I6 octahedra, and edges with five equivalent Pr(1)FeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Pr site, Pr(2) is bonded to six equivalent I(2) atoms to form edge-sharing PrI6 octahedra. Fe(1) is bonded in an octahedral geometry to six equivalent Pr(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to three equivalent Pr(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr7FeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.023
_cell_length_b   10.023
_cell_length_c   10.023
_cell_angle_alpha   107.267
_cell_angle_beta   107.267
_cell_angle_gamma   107.267
_symmetry_Int_Tables_number   1
_cell_volume   832.504
_cell_formula_units_Z   1
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  0.801  0.530  0.599  1.0
  Pr  Pr1  1  0.530  0.599  0.801  1.0
  Pr  Pr2  1  0.199  0.470  0.401  1.0
  Pr  Pr3  1  0.470  0.401  0.199  1.0
  Pr  Pr4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.599  0.801  0.530  1.0
  Pr  Pr6  1  0.401  0.199  0.470  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  I  I8  1  0.730  0.185  0.576  1.0
  I  I9  1  0.972  0.892  0.657  1.0
  I  I10  1  0.576  0.730  0.185  1.0
  I  I11  1  0.108  0.343  0.028  1.0
  I  I12  1  0.657  0.972  0.892  1.0
  I  I13  1  0.892  0.657  0.972  1.0
  I  I14  1  0.028  0.108  0.343  1.0
  I  I15  1  0.815  0.424  0.270  1.0
  I  I16  1  0.343  0.028  0.108  1.0
  I  I17  1  0.270  0.815  0.424  1.0
  I  I18  1  0.185  0.576  0.730  1.0
  I  I19  1  0.424  0.270  0.815  1.0
[/CIF]
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The structure described by Pr7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Fe(1), two equivalent I(2), and three equivalent I(1) atoms to form distorted PrFeI5 octahedra that share corners with three equivalent Pr(1)FeI5 octahedra,  an edgeedge with one Pr(2)I6 octahedra, and edges with five equivalent Pr(1)FeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Pr site, Pr(2) is bonded to six equivalent I(2) atoms to form edge-sharing PrI6 octahedra. Fe(1) is bonded in an octahedral geometry to six equivalent Pr(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to three equivalent Pr(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr7FeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.023
_cell_length_b   10.023
_cell_length_c   10.023
_cell_angle_alpha   107.267
_cell_angle_beta   107.267
_cell_angle_gamma   107.267
_symmetry_Int_Tables_number   1
_cell_volume   832.504
_cell_formula_units_Z   1
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  0.801  0.530  0.599  1.0
  Pr  Pr1  1  0.530  0.599  0.801  1.0
  Pr  Pr2  1  0.199  0.470  0.401  1.0
  Pr  Pr3  1  0.470  0.401  0.199  1.0
  Pr  Pr4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.599  0.801  0.530  1.0
  Pr  Pr6  1  0.401  0.199  0.470  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  I  I8  1  0.730  0.185  0.576  1.0
  I  I9  1  0.972  0.892  0.657  1.0
  I  I10  1  0.576  0.730  0.185  1.0
  I  I11  1  0.108  0.343  0.028  1.0
  I  I12  1  0.657  0.972  0.892  1.0
  I  I13  1  0.892  0.657  0.972  1.0
  I  I14  1  0.028  0.108  0.343  1.0
  I  I15  1  0.815  0.424  0.270  1.0
  I  I16  1  0.343  0.028  0.108  1.0
  I  I17  1  0.270  0.815  0.424  1.0
  I  I18  1  0.185  0.576  0.730  1.0
  I  I19  1  0.424  0.270  0.815  1.0
[/CIF]
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