The crystal structure described by Ce4SiI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Si(1), two equivalent I(2), and three equivalent I(1) atoms to form CeSiI5 octahedra that share  a cornercorner with one Ce(2)Si2I4 octahedra,  a cornercorner with one Ce(1)SiI5 octahedra, edges with four equivalent Ce(2)Si2I4 octahedra, and edges with four equivalent Ce(1)SiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Ce site, Ce(2) is bonded to two equivalent Si(1), one I(1), one I(2), and two equivalent I(3) atoms to form CeSi2I4 octahedra that share  a cornercorner with one Ce(1)SiI5 octahedra, corners with four equivalent Ce(2)Si2I4 octahedra, edges with four equivalent Ce(2)Si2I4 octahedra, and edges with four equivalent Ce(1)SiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Si(1) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form edge-sharing SiCe6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to one Ce(2) and three equivalent Ce(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Ce(2) and two equivalent Ce(1) atoms. In the third I site, I(3) is bonded in a square co-planar geometry to four equivalent Ce(2) atoms. is represented by the CIF card [CIF]
data_Ce4SiI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.112
_cell_length_b   10.112
_cell_length_c   9.142
_cell_angle_alpha   76.926
_cell_angle_beta   76.926
_cell_angle_gamma   24.858
_symmetry_Int_Tables_number   1
_cell_volume   382.233
_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
  Ce  Ce0  1  0.850  0.850  0.078  1.0
  Ce  Ce1  1  0.150  0.150  0.922  1.0
  Ce  Ce2  1  0.500  0.500  0.217  1.0
  Ce  Ce3  1  0.500  0.500  0.783  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
  I  I5  1  0.672  0.672  0.176  1.0
  I  I6  1  0.328  0.328  0.824  1.0
  I  I7  1  0.668  0.668  0.654  1.0
  I  I8  1  0.332  0.332  0.346  1.0
  I  I9  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Ce4SiI5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Si(1), two equivalent I(2), and three equivalent I(1) atoms to form CeSiI5 octahedra that share  a cornercorner with one Ce(2)Si2I4 octahedra,  a cornercorner with one Ce(1)SiI5 octahedra, edges with four equivalent Ce(2)Si2I4 octahedra, and edges with four equivalent Ce(1)SiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Ce site, Ce(2) is bonded to two equivalent Si(1), one I(1), one I(2), and two equivalent I(3) atoms to form CeSi2I4 octahedra that share  a cornercorner with one Ce(1)SiI5 octahedra, corners with four equivalent Ce(2)Si2I4 octahedra, edges with four equivalent Ce(2)Si2I4 octahedra, and edges with four equivalent Ce(1)SiI5 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Si(1) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form edge-sharing SiCe6 octahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to one Ce(2) and three equivalent Ce(1) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Ce(2) and two equivalent Ce(1) atoms. In the third I site, I(3) is bonded in a square co-planar geometry to four equivalent Ce(2) atoms. is represented by the CIF card [CIF]
data_Ce4SiI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.112
_cell_length_b   10.112
_cell_length_c   9.142
_cell_angle_alpha   76.926
_cell_angle_beta   76.926
_cell_angle_gamma   24.858
_symmetry_Int_Tables_number   1
_cell_volume   382.233
_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
  Ce  Ce0  1  0.850  0.850  0.078  1.0
  Ce  Ce1  1  0.150  0.150  0.922  1.0
  Ce  Ce2  1  0.500  0.500  0.217  1.0
  Ce  Ce3  1  0.500  0.500  0.783  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
  I  I5  1  0.672  0.672  0.176  1.0
  I  I6  1  0.328  0.328  0.824  1.0
  I  I7  1  0.668  0.668  0.654  1.0
  I  I8  1  0.332  0.332  0.346  1.0
  I  I9  1  0.000  0.000  0.500  1.0
[/CIF]
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