The material structure described by Pr12I17Fe2 crystallizes in the triclinic P-1 space group. There are six inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Fe(1), one I(2), one I(6), one I(8), and two equivalent I(1) atoms to form a mixture of corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second Pr site, Pr(2) is bonded to one Fe(1), one I(1), one I(4), one I(6), and two equivalent I(3) atoms to form a mixture of corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the third Pr site, Pr(3) is bonded to one Fe(1), one I(1), one I(4), one I(5), one I(6), and one I(7) atom to form a mixture of distorted corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fourth Pr site, Pr(4) is bonded to one Fe(1), one I(2), one I(5), one I(7), and two equivalent I(8) atoms to form a mixture of corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the fifth Pr site, Pr(5) is bonded to one Fe(1), one I(3), one I(7), one I(9), and two equivalent I(5) atoms to form a mixture of distorted corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth Pr site, Pr(6) is bonded to one Fe(1), one I(2), one I(4), one I(7), one I(8), and one I(9) atom to form a mixture of distorted corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. Fe(1) is bonded in an octahedral geometry to one Pr(1), one Pr(2), one Pr(3), one Pr(4), one Pr(5), and one Pr(6) atom. There are nine inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to one Pr(2), one Pr(3), and two equivalent Pr(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(4), and one Pr(6) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Pr(5) and two equivalent Pr(2) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Pr(2), one Pr(3), and one Pr(6) atom. In the fifth I site, I(5) is bonded in a rectangular see-saw-like geometry to one Pr(3), one Pr(4), and two equivalent Pr(5) atoms. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one Pr(3), one Pr(4), one Pr(5), and one Pr(6) atom. In the eighth I site, I(8) is bonded in a rectangular see-saw-like geometry to one Pr(1), one Pr(6), and two equivalent Pr(4) atoms. In the ninth I site, I(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(5) and two equivalent Pr(6) atoms. is represented by the CIF card [CIF]
data_Pr12Fe2I17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.978
_cell_length_b   12.021
_cell_length_c   12.081
_cell_angle_alpha   93.522
_cell_angle_beta   104.570
_cell_angle_gamma   114.497
_symmetry_Int_Tables_number   1
_cell_volume   1253.467
_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  0.059  0.512  0.323  1.0
  Pr  Pr1  1  0.989  0.811  0.582  1.0
  Pr  Pr2  1  0.650  0.240  0.283  1.0
  Pr  Pr3  1  0.011  0.189  0.418  1.0
  Pr  Pr4  1  0.224  0.670  0.989  1.0
  Pr  Pr5  1  0.260  0.987  0.893  1.0
  Pr  Pr6  1  0.350  0.760  0.717  1.0
  Pr  Pr7  1  0.941  0.488  0.677  1.0
  Pr  Pr8  1  0.740  0.013  0.107  1.0
  Pr  Pr9  1  0.147  0.287  0.152  1.0
  Pr  Pr10  1  0.776  0.330  0.011  1.0
  Pr  Pr11  1  0.853  0.713  0.848  1.0
  Fe  Fe12  1  0.104  0.738  0.786  1.0
  Fe  Fe13  1  0.896  0.262  0.214  1.0
  I  I14  1  0.782  0.529  0.417  1.0
  I  I15  1  0.636  0.416  0.757  1.0
  I  I16  1  0.843  0.893  0.324  1.0
  I  I17  1  0.328  0.212  0.370  1.0
  I  I18  1  0.157  0.107  0.676  1.0
  I  I19  1  0.591  0.054  0.842  1.0
  I  I20  1  0.752  0.179  0.538  1.0
  I  I21  1  0.549  0.705  0.953  1.0
  I  I22  1  0.364  0.584  0.243  1.0
  I  I23  1  0.218  0.471  0.583  1.0
  I  I24  1  0.057  0.366  0.896  1.0
  I  I25  1  0.451  0.295  0.047  1.0
  I  I26  1  0.000  0.000  0.000  1.0
  I  I27  1  0.248  0.821  0.462  1.0
  I  I28  1  0.409  0.946  0.158  1.0
  I  I29  1  0.672  0.788  0.630  1.0
  I  I30  1  0.943  0.634  0.104  1.0
[/CIF]
.
The material structure described by Pr12I17Fe2 crystallizes in the triclinic P-1 space group. There are six inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Fe(1), one I(2), one I(6), one I(8), and two equivalent I(1) atoms to form a mixture of corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second Pr site, Pr(2) is bonded to one Fe(1), one I(1), one I(4), one I(6), and two equivalent I(3) atoms to form a mixture of corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the third Pr site, Pr(3) is bonded to one Fe(1), one I(1), one I(4), one I(5), one I(6), and one I(7) atom to form a mixture of distorted corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fourth Pr site, Pr(4) is bonded to one Fe(1), one I(2), one I(5), one I(7), and two equivalent I(8) atoms to form a mixture of corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the fifth Pr site, Pr(5) is bonded to one Fe(1), one I(3), one I(7), one I(9), and two equivalent I(5) atoms to form a mixture of distorted corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth Pr site, Pr(6) is bonded to one Fe(1), one I(2), one I(4), one I(7), one I(8), and one I(9) atom to form a mixture of distorted corner and edge-sharing PrFeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. Fe(1) is bonded in an octahedral geometry to one Pr(1), one Pr(2), one Pr(3), one Pr(4), one Pr(5), and one Pr(6) atom. There are nine inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to one Pr(2), one Pr(3), and two equivalent Pr(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(4), and one Pr(6) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Pr(5) and two equivalent Pr(2) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Pr(2), one Pr(3), and one Pr(6) atom. In the fifth I site, I(5) is bonded in a rectangular see-saw-like geometry to one Pr(3), one Pr(4), and two equivalent Pr(5) atoms. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one Pr(3), one Pr(4), one Pr(5), and one Pr(6) atom. In the eighth I site, I(8) is bonded in a rectangular see-saw-like geometry to one Pr(1), one Pr(6), and two equivalent Pr(4) atoms. In the ninth I site, I(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(5) and two equivalent Pr(6) atoms. is represented by the CIF card [CIF]
data_Pr12Fe2I17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.978
_cell_length_b   12.021
_cell_length_c   12.081
_cell_angle_alpha   93.522
_cell_angle_beta   104.570
_cell_angle_gamma   114.497
_symmetry_Int_Tables_number   1
_cell_volume   1253.467
_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  0.059  0.512  0.323  1.0
  Pr  Pr1  1  0.989  0.811  0.582  1.0
  Pr  Pr2  1  0.650  0.240  0.283  1.0
  Pr  Pr3  1  0.011  0.189  0.418  1.0
  Pr  Pr4  1  0.224  0.670  0.989  1.0
  Pr  Pr5  1  0.260  0.987  0.893  1.0
  Pr  Pr6  1  0.350  0.760  0.717  1.0
  Pr  Pr7  1  0.941  0.488  0.677  1.0
  Pr  Pr8  1  0.740  0.013  0.107  1.0
  Pr  Pr9  1  0.147  0.287  0.152  1.0
  Pr  Pr10  1  0.776  0.330  0.011  1.0
  Pr  Pr11  1  0.853  0.713  0.848  1.0
  Fe  Fe12  1  0.104  0.738  0.786  1.0
  Fe  Fe13  1  0.896  0.262  0.214  1.0
  I  I14  1  0.782  0.529  0.417  1.0
  I  I15  1  0.636  0.416  0.757  1.0
  I  I16  1  0.843  0.893  0.324  1.0
  I  I17  1  0.328  0.212  0.370  1.0
  I  I18  1  0.157  0.107  0.676  1.0
  I  I19  1  0.591  0.054  0.842  1.0
  I  I20  1  0.752  0.179  0.538  1.0
  I  I21  1  0.549  0.705  0.953  1.0
  I  I22  1  0.364  0.584  0.243  1.0
  I  I23  1  0.218  0.471  0.583  1.0
  I  I24  1  0.057  0.366  0.896  1.0
  I  I25  1  0.451  0.295  0.047  1.0
  I  I26  1  0.000  0.000  0.000  1.0
  I  I27  1  0.248  0.821  0.462  1.0
  I  I28  1  0.409  0.946  0.158  1.0
  I  I29  1  0.672  0.788  0.630  1.0
  I  I30  1  0.943  0.634  0.104  1.0
[/CIF]
.