The structure described by Ce3IrI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. Ce(1) is bonded to two equivalent Ir(1) and four equivalent I(1) atoms to form a mixture of distorted corner and edge-sharing CeIr2I4 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Ir(1) is bonded to six equivalent Ce(1) atoms to form edge-sharing IrCe6 octahedra. I(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce3IrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.808
_cell_length_b   10.808
_cell_length_c   10.808
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   971.925
_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
  Ce  Ce0  1  0.273  0.750  0.227  1.0
  Ce  Ce1  1  0.477  0.750  0.023  1.0
  Ce  Ce2  1  0.227  0.455  0.477  1.0
  Ce  Ce3  1  0.023  0.045  0.273  1.0
  Ce  Ce4  1  0.227  0.273  0.750  1.0
  Ce  Ce5  1  0.023  0.477  0.750  1.0
  Ce  Ce6  1  0.477  0.227  0.455  1.0
  Ce  Ce7  1  0.273  0.023  0.045  1.0
  Ce  Ce8  1  0.750  0.227  0.273  1.0
  Ce  Ce9  1  0.750  0.023  0.477  1.0
  Ce  Ce10  1  0.455  0.477  0.227  1.0
  Ce  Ce11  1  0.045  0.273  0.023  1.0
  Ir  Ir12  1  0.500  0.000  0.250  1.0
  Ir  Ir13  1  0.250  0.500  0.000  1.0
  Ir  Ir14  1  0.000  0.250  0.500  1.0
  Ir  Ir15  1  0.250  0.250  0.250  1.0
  I  I16  1  0.250  0.990  0.510  1.0
  I  I17  1  0.520  0.510  0.760  1.0
  I  I18  1  0.250  0.760  0.740  1.0
  I  I19  1  0.980  0.740  0.990  1.0
  I  I20  1  0.990  0.510  0.250  1.0
  I  I21  1  0.740  0.990  0.980  1.0
  I  I22  1  0.760  0.740  0.250  1.0
  I  I23  1  0.510  0.760  0.520  1.0
  I  I24  1  0.510  0.250  0.990  1.0
  I  I25  1  0.760  0.520  0.510  1.0
  I  I26  1  0.740  0.250  0.760  1.0
  I  I27  1  0.990  0.980  0.740  1.0
[/CIF]
.
The structure described by Ce3IrI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. Ce(1) is bonded to two equivalent Ir(1) and four equivalent I(1) atoms to form a mixture of distorted corner and edge-sharing CeIr2I4 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Ir(1) is bonded to six equivalent Ce(1) atoms to form edge-sharing IrCe6 octahedra. I(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce3IrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.808
_cell_length_b   10.808
_cell_length_c   10.808
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   971.925
_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
  Ce  Ce0  1  0.273  0.750  0.227  1.0
  Ce  Ce1  1  0.477  0.750  0.023  1.0
  Ce  Ce2  1  0.227  0.455  0.477  1.0
  Ce  Ce3  1  0.023  0.045  0.273  1.0
  Ce  Ce4  1  0.227  0.273  0.750  1.0
  Ce  Ce5  1  0.023  0.477  0.750  1.0
  Ce  Ce6  1  0.477  0.227  0.455  1.0
  Ce  Ce7  1  0.273  0.023  0.045  1.0
  Ce  Ce8  1  0.750  0.227  0.273  1.0
  Ce  Ce9  1  0.750  0.023  0.477  1.0
  Ce  Ce10  1  0.455  0.477  0.227  1.0
  Ce  Ce11  1  0.045  0.273  0.023  1.0
  Ir  Ir12  1  0.500  0.000  0.250  1.0
  Ir  Ir13  1  0.250  0.500  0.000  1.0
  Ir  Ir14  1  0.000  0.250  0.500  1.0
  Ir  Ir15  1  0.250  0.250  0.250  1.0
  I  I16  1  0.250  0.990  0.510  1.0
  I  I17  1  0.520  0.510  0.760  1.0
  I  I18  1  0.250  0.760  0.740  1.0
  I  I19  1  0.980  0.740  0.990  1.0
  I  I20  1  0.990  0.510  0.250  1.0
  I  I21  1  0.740  0.990  0.980  1.0
  I  I22  1  0.760  0.740  0.250  1.0
  I  I23  1  0.510  0.760  0.520  1.0
  I  I24  1  0.510  0.250  0.990  1.0
  I  I25  1  0.760  0.520  0.510  1.0
  I  I26  1  0.740  0.250  0.760  1.0
  I  I27  1  0.990  0.980  0.740  1.0
[/CIF]
.