The material structure described by Pr3IrI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent Ir(1) and four equivalent I(1) atoms to form a mixture of distorted corner and edge-sharing PrIr2I4 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. Ir(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing IrPr6 octahedra. I(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr3IrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.884
_cell_length_b   10.884
_cell_length_c   10.884
_cell_angle_alpha   109.471
_cell_angle_beta   109.470
_cell_angle_gamma   109.473
_symmetry_Int_Tables_number   1
_cell_volume   992.577
_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  0.457  0.478  0.228  1.0
  Pr  Pr1  1  0.750  0.228  0.272  1.0
  Pr  Pr2  1  0.750  0.022  0.478  1.0
  Pr  Pr3  1  0.228  0.457  0.478  1.0
  Pr  Pr4  1  0.272  0.750  0.228  1.0
  Pr  Pr5  1  0.043  0.272  0.022  1.0
  Pr  Pr6  1  0.022  0.043  0.272  1.0
  Pr  Pr7  1  0.478  0.750  0.022  1.0
  Pr  Pr8  1  0.478  0.228  0.457  1.0
  Pr  Pr9  1  0.022  0.478  0.750  1.0
  Pr  Pr10  1  0.272  0.022  0.043  1.0
  Pr  Pr11  1  0.228  0.272  0.750  1.0
  Ir  Ir12  1  0.250  0.250  0.250  1.0
  Ir  Ir13  1  0.500  1.000  0.250  1.0
  Ir  Ir14  1  1.000  0.250  0.500  1.0
  Ir  Ir15  1  0.250  0.500  0.000  1.0
  I  I16  1  0.250  0.759  0.741  1.0
  I  I17  1  0.519  0.509  0.759  1.0
  I  I18  1  0.981  0.741  0.991  1.0
  I  I19  1  0.741  0.250  0.759  1.0
  I  I20  1  0.991  0.981  0.741  1.0
  I  I21  1  0.250  0.991  0.509  1.0
  I  I22  1  0.759  0.519  0.509  1.0
  I  I23  1  0.509  0.250  0.991  1.0
  I  I24  1  0.759  0.741  0.250  1.0
  I  I25  1  0.741  0.991  0.981  1.0
  I  I26  1  0.991  0.509  0.250  1.0
  I  I27  1  0.509  0.759  0.519  1.0
[/CIF]
.
The material structure described by Pr3IrI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. Pr(1) is bonded to two equivalent Ir(1) and four equivalent I(1) atoms to form a mixture of distorted corner and edge-sharing PrIr2I4 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. Ir(1) is bonded to six equivalent Pr(1) atoms to form edge-sharing IrPr6 octahedra. I(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr3IrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.884
_cell_length_b   10.884
_cell_length_c   10.884
_cell_angle_alpha   109.471
_cell_angle_beta   109.470
_cell_angle_gamma   109.473
_symmetry_Int_Tables_number   1
_cell_volume   992.577
_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  0.457  0.478  0.228  1.0
  Pr  Pr1  1  0.750  0.228  0.272  1.0
  Pr  Pr2  1  0.750  0.022  0.478  1.0
  Pr  Pr3  1  0.228  0.457  0.478  1.0
  Pr  Pr4  1  0.272  0.750  0.228  1.0
  Pr  Pr5  1  0.043  0.272  0.022  1.0
  Pr  Pr6  1  0.022  0.043  0.272  1.0
  Pr  Pr7  1  0.478  0.750  0.022  1.0
  Pr  Pr8  1  0.478  0.228  0.457  1.0
  Pr  Pr9  1  0.022  0.478  0.750  1.0
  Pr  Pr10  1  0.272  0.022  0.043  1.0
  Pr  Pr11  1  0.228  0.272  0.750  1.0
  Ir  Ir12  1  0.250  0.250  0.250  1.0
  Ir  Ir13  1  0.500  1.000  0.250  1.0
  Ir  Ir14  1  1.000  0.250  0.500  1.0
  Ir  Ir15  1  0.250  0.500  0.000  1.0
  I  I16  1  0.250  0.759  0.741  1.0
  I  I17  1  0.519  0.509  0.759  1.0
  I  I18  1  0.981  0.741  0.991  1.0
  I  I19  1  0.741  0.250  0.759  1.0
  I  I20  1  0.991  0.981  0.741  1.0
  I  I21  1  0.250  0.991  0.509  1.0
  I  I22  1  0.759  0.519  0.509  1.0
  I  I23  1  0.509  0.250  0.991  1.0
  I  I24  1  0.759  0.741  0.250  1.0
  I  I25  1  0.741  0.991  0.981  1.0
  I  I26  1  0.991  0.509  0.250  1.0
  I  I27  1  0.509  0.759  0.519  1.0
[/CIF]
.