The material structure described by Ce3SiI3 crystallizes in the cubic I4_132 space group. Ce(1) is bonded to two equivalent Si(1) and four equivalent I(1) atoms to form a mixture of edge and corner-sharing CeSi2I4 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Si(1) is bonded to six equivalent Ce(1) atoms to form edge-sharing SiCe6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.737
_cell_length_b   10.737
_cell_length_c   10.737
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   952.822
_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  0.766  0.516  0.531  1.0
  Ce  Ce1  1  0.734  0.766  0.250  1.0
  Ce  Ce2  1  0.516  0.984  0.250  1.0
  Ce  Ce3  1  0.516  0.531  0.766  1.0
  Ce  Ce4  1  0.766  0.250  0.734  1.0
  Ce  Ce5  1  0.984  0.734  0.969  1.0
  Ce  Ce6  1  0.734  0.969  0.984  1.0
  Ce  Ce7  1  0.984  0.250  0.516  1.0
  Ce  Ce8  1  0.531  0.766  0.516  1.0
  Ce  Ce9  1  0.250  0.516  0.984  1.0
  Ce  Ce10  1  0.969  0.984  0.734  1.0
  Ce  Ce11  1  0.250  0.734  0.766  1.0
  Si  Si12  1  0.750  0.750  0.750  1.0
  Si  Si13  1  0.750  0.000  0.500  1.0
  Si  Si14  1  0.500  0.750  0.000  1.0
  Si  Si15  1  0.000  0.500  0.750  1.0
  I  I16  1  0.259  0.241  0.750  1.0
  I  I17  1  0.241  0.491  0.482  1.0
  I  I18  1  0.009  0.259  0.018  1.0
  I  I19  1  0.241  0.750  0.259  1.0
  I  I20  1  0.259  0.018  0.009  1.0
  I  I21  1  0.491  0.009  0.750  1.0
  I  I22  1  0.491  0.482  0.241  1.0
  I  I23  1  0.009  0.750  0.491  1.0
  I  I24  1  0.750  0.259  0.241  1.0
  I  I25  1  0.018  0.009  0.259  1.0
  I  I26  1  0.750  0.491  0.009  1.0
  I  I27  1  0.482  0.241  0.491  1.0
[/CIF]
.
The material structure described by Ce3SiI3 crystallizes in the cubic I4_132 space group. Ce(1) is bonded to two equivalent Si(1) and four equivalent I(1) atoms to form a mixture of edge and corner-sharing CeSi2I4 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Si(1) is bonded to six equivalent Ce(1) atoms to form edge-sharing SiCe6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.737
_cell_length_b   10.737
_cell_length_c   10.737
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   952.822
_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  0.766  0.516  0.531  1.0
  Ce  Ce1  1  0.734  0.766  0.250  1.0
  Ce  Ce2  1  0.516  0.984  0.250  1.0
  Ce  Ce3  1  0.516  0.531  0.766  1.0
  Ce  Ce4  1  0.766  0.250  0.734  1.0
  Ce  Ce5  1  0.984  0.734  0.969  1.0
  Ce  Ce6  1  0.734  0.969  0.984  1.0
  Ce  Ce7  1  0.984  0.250  0.516  1.0
  Ce  Ce8  1  0.531  0.766  0.516  1.0
  Ce  Ce9  1  0.250  0.516  0.984  1.0
  Ce  Ce10  1  0.969  0.984  0.734  1.0
  Ce  Ce11  1  0.250  0.734  0.766  1.0
  Si  Si12  1  0.750  0.750  0.750  1.0
  Si  Si13  1  0.750  0.000  0.500  1.0
  Si  Si14  1  0.500  0.750  0.000  1.0
  Si  Si15  1  0.000  0.500  0.750  1.0
  I  I16  1  0.259  0.241  0.750  1.0
  I  I17  1  0.241  0.491  0.482  1.0
  I  I18  1  0.009  0.259  0.018  1.0
  I  I19  1  0.241  0.750  0.259  1.0
  I  I20  1  0.259  0.018  0.009  1.0
  I  I21  1  0.491  0.009  0.750  1.0
  I  I22  1  0.491  0.482  0.241  1.0
  I  I23  1  0.009  0.750  0.491  1.0
  I  I24  1  0.750  0.259  0.241  1.0
  I  I25  1  0.018  0.009  0.259  1.0
  I  I26  1  0.750  0.491  0.009  1.0
  I  I27  1  0.482  0.241  0.491  1.0
[/CIF]
.