The structure described by Ce3CI5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent C(1), one I(1), one I(2), one I(3), and two equivalent I(4) atoms to form distorted CeC2I5 pentagonal bipyramids that share  a cornercorner with one Ce(2)CI5 octahedra, corners with two equivalent Ce(3)C2I5 pentagonal bipyramids, edges with three equivalent Ce(2)CI5 octahedra, edges with two equivalent Ce(1)C2I5 pentagonal bipyramids, and faces with two equivalent Ce(3)C2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the second Ce site, Ce(2) is bonded to one C(1), one I(1), one I(4), one I(5), and two equivalent I(3) atoms to form distorted CeCI5 octahedra that share  a cornercorner with one Ce(1)C2I5 pentagonal bipyramid,  an edgeedge with one Ce(2)CI5 octahedra, edges with three equivalent Ce(1)C2I5 pentagonal bipyramids, and edges with three equivalent Ce(3)C2I5 pentagonal bipyramids. In the third Ce site, Ce(3) is bonded to two equivalent C(1), one I(1), one I(3), one I(5), and two equivalent I(2) atoms to form distorted CeC2I5 pentagonal bipyramids that share corners with two equivalent Ce(1)C2I5 pentagonal bipyramids, edges with three equivalent Ce(2)CI5 octahedra, edges with two equivalent Ce(3)C2I5 pentagonal bipyramids, and faces with two equivalent Ce(1)C2I5 pentagonal bipyramids. C(1) is bonded in a 6-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Ce(3), and one C(1) atom. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Ce(3) atoms. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Ce(2) and two equivalent Ce(1) atoms. In the fifth I site, I(5) is bonded in a distorted L-shaped geometry to one Ce(2) and one Ce(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3CI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.959
_cell_length_b   9.747
_cell_length_c   9.798
_cell_angle_alpha   107.193
_cell_angle_beta   96.721
_cell_angle_gamma   104.805
_symmetry_Int_Tables_number   1
_cell_volume   686.645
_cell_formula_units_Z   2
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  0.108  0.040  0.775  1.0
  Ce  Ce1  1  0.382  0.134  0.180  1.0
  Ce  Ce2  1  0.892  0.960  0.225  1.0
  Ce  Ce3  1  0.031  0.734  0.922  1.0
  Ce  Ce4  1  0.969  0.266  0.078  1.0
  Ce  Ce5  1  0.618  0.866  0.820  1.0
  C  C6  1  0.911  0.970  0.959  1.0
  C  C7  1  0.089  0.030  0.041  1.0
  I  I8  1  0.190  0.728  0.635  1.0
  I  I9  1  0.090  0.375  0.818  1.0
  I  I10  1  0.453  0.803  0.095  1.0
  I  I11  1  0.260  0.087  0.466  1.0
  I  I12  1  0.547  0.197  0.904  1.0
  I  I13  1  0.810  0.272  0.365  1.0
  I  I14  1  0.350  0.459  0.276  1.0
  I  I15  1  0.910  0.625  0.182  1.0
  I  I16  1  0.650  0.541  0.724  1.0
  I  I17  1  0.740  0.913  0.534  1.0
[/CIF]
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The structure described by Ce3CI5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent C(1), one I(1), one I(2), one I(3), and two equivalent I(4) atoms to form distorted CeC2I5 pentagonal bipyramids that share  a cornercorner with one Ce(2)CI5 octahedra, corners with two equivalent Ce(3)C2I5 pentagonal bipyramids, edges with three equivalent Ce(2)CI5 octahedra, edges with two equivalent Ce(1)C2I5 pentagonal bipyramids, and faces with two equivalent Ce(3)C2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the second Ce site, Ce(2) is bonded to one C(1), one I(1), one I(4), one I(5), and two equivalent I(3) atoms to form distorted CeCI5 octahedra that share  a cornercorner with one Ce(1)C2I5 pentagonal bipyramid,  an edgeedge with one Ce(2)CI5 octahedra, edges with three equivalent Ce(1)C2I5 pentagonal bipyramids, and edges with three equivalent Ce(3)C2I5 pentagonal bipyramids. In the third Ce site, Ce(3) is bonded to two equivalent C(1), one I(1), one I(3), one I(5), and two equivalent I(2) atoms to form distorted CeC2I5 pentagonal bipyramids that share corners with two equivalent Ce(1)C2I5 pentagonal bipyramids, edges with three equivalent Ce(2)CI5 octahedra, edges with two equivalent Ce(3)C2I5 pentagonal bipyramids, and faces with two equivalent Ce(1)C2I5 pentagonal bipyramids. C(1) is bonded in a 6-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Ce(3), and one C(1) atom. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Ce(3) atoms. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Ce(2) and two equivalent Ce(1) atoms. In the fifth I site, I(5) is bonded in a distorted L-shaped geometry to one Ce(2) and one Ce(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3CI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.959
_cell_length_b   9.747
_cell_length_c   9.798
_cell_angle_alpha   107.193
_cell_angle_beta   96.721
_cell_angle_gamma   104.805
_symmetry_Int_Tables_number   1
_cell_volume   686.645
_cell_formula_units_Z   2
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  0.108  0.040  0.775  1.0
  Ce  Ce1  1  0.382  0.134  0.180  1.0
  Ce  Ce2  1  0.892  0.960  0.225  1.0
  Ce  Ce3  1  0.031  0.734  0.922  1.0
  Ce  Ce4  1  0.969  0.266  0.078  1.0
  Ce  Ce5  1  0.618  0.866  0.820  1.0
  C  C6  1  0.911  0.970  0.959  1.0
  C  C7  1  0.089  0.030  0.041  1.0
  I  I8  1  0.190  0.728  0.635  1.0
  I  I9  1  0.090  0.375  0.818  1.0
  I  I10  1  0.453  0.803  0.095  1.0
  I  I11  1  0.260  0.087  0.466  1.0
  I  I12  1  0.547  0.197  0.904  1.0
  I  I13  1  0.810  0.272  0.365  1.0
  I  I14  1  0.350  0.459  0.276  1.0
  I  I15  1  0.910  0.625  0.182  1.0
  I  I16  1  0.650  0.541  0.724  1.0
  I  I17  1  0.740  0.913  0.534  1.0
[/CIF]
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