The material structure described by PrI2 is trigonal omega-like structured and crystallizes in the cubic F-43m space group. Pr(1) is bonded to three equivalent I(1) and three equivalent I(2) atoms to form edge-sharing PrI6 octahedra. 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 3-coordinate geometry to three equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.894
_cell_length_b   8.894
_cell_length_c   8.892
_cell_angle_alpha   59.997
_cell_angle_beta   60.009
_cell_angle_gamma   60.021
_symmetry_Int_Tables_number   1
_cell_volume   497.469
_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  0.361  0.361  0.361  1.0
  Pr  Pr1  1  0.361  0.918  0.361  1.0
  Pr  Pr2  1  0.361  0.360  0.918  1.0
  Pr  Pr3  1  0.918  0.360  0.361  1.0
  I  I4  1  0.623  0.623  0.623  1.0
  I  I5  1  0.112  0.665  0.112  1.0
  I  I6  1  0.623  0.131  0.623  1.0
  I  I7  1  0.131  0.623  0.623  1.0
  I  I8  1  0.665  0.112  0.112  1.0
  I  I9  1  0.111  0.112  0.112  1.0
  I  I10  1  0.623  0.623  0.131  1.0
  I  I11  1  0.112  0.112  0.665  1.0
[/CIF]
.
The material structure described by PrI2 is trigonal omega-like structured and crystallizes in the cubic F-43m space group. Pr(1) is bonded to three equivalent I(1) and three equivalent I(2) atoms to form edge-sharing PrI6 octahedra. 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 3-coordinate geometry to three equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.894
_cell_length_b   8.894
_cell_length_c   8.892
_cell_angle_alpha   59.997
_cell_angle_beta   60.009
_cell_angle_gamma   60.021
_symmetry_Int_Tables_number   1
_cell_volume   497.469
_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  0.361  0.361  0.361  1.0
  Pr  Pr1  1  0.361  0.918  0.361  1.0
  Pr  Pr2  1  0.361  0.360  0.918  1.0
  Pr  Pr3  1  0.918  0.360  0.361  1.0
  I  I4  1  0.623  0.623  0.623  1.0
  I  I5  1  0.112  0.665  0.112  1.0
  I  I6  1  0.623  0.131  0.623  1.0
  I  I7  1  0.131  0.623  0.623  1.0
  I  I8  1  0.665  0.112  0.112  1.0
  I  I9  1  0.111  0.112  0.112  1.0
  I  I10  1  0.623  0.623  0.131  1.0
  I  I11  1  0.112  0.112  0.665  1.0
[/CIF]
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