The structure described by CeLa2Si2S8I crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(3), four equivalent S(2), and one I(1) atom. La(1) is bonded in a 9-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), three equivalent S(4), and one I(1) atom. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Si(1) atom. In the second S site, S(1) is bonded to one Ce(1), two equivalent La(1), and one Si(1) atom to form distorted SLa2CeSi trigonal pyramids that share corners with three equivalent S(1)La2CeSi trigonal pyramids, corners with three equivalent S(3)La2CeSi trigonal pyramids, corners with five equivalent S(2)LaCe2Si trigonal pyramids,  an edgeedge with one S(2)LaCe2Si trigonal pyramid, and edges with two equivalent S(3)La2CeSi trigonal pyramids. In the third S site, S(2) is bonded to two equivalent Ce(1), one La(1), and one Si(1) atom to form distorted SLaCe2Si trigonal pyramids that share corners with three equivalent S(3)La2CeSi trigonal pyramids, corners with four equivalent S(2)LaCe2Si trigonal pyramids, corners with five equivalent S(1)La2CeSi trigonal pyramids,  an edgeedge with one S(1)La2CeSi trigonal pyramid,  an edgeedge with one S(2)LaCe2Si trigonal pyramid, and edges with two equivalent S(3)La2CeSi trigonal pyramids. In the fourth S site, S(3) is bonded to one Ce(1), two equivalent La(1), and one Si(1) atom to form distorted SLa2CeSi trigonal pyramids that share corners with three equivalent S(1)La2CeSi trigonal pyramids, corners with three equivalent S(3)La2CeSi trigonal pyramids, corners with three equivalent S(2)LaCe2Si trigonal pyramids, edges with two equivalent S(1)La2CeSi trigonal pyramids, and edges with two equivalent S(2)LaCe2Si trigonal pyramids. I(1) is bonded in a distorted T-shaped geometry to one Ce(1) and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2CeSi2S8I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.001
_cell_length_b   9.001
_cell_length_c   11.025
_cell_angle_alpha   82.746
_cell_angle_beta   82.746
_cell_angle_gamma   52.688
_symmetry_Int_Tables_number   1
_cell_volume   703.385
_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
  La  La0  1  0.924  0.679  0.681  1.0
  La  La1  1  0.321  0.076  0.819  1.0
  La  La2  1  0.076  0.321  0.319  1.0
  La  La3  1  0.679  0.924  0.181  1.0
  Ce  Ce4  1  0.594  0.406  0.750  1.0
  Ce  Ce5  1  0.406  0.594  0.250  1.0
  Si  Si6  1  0.303  0.378  0.029  1.0
  Si  Si7  1  0.622  0.697  0.471  1.0
  Si  Si8  1  0.697  0.622  0.971  1.0
  Si  Si9  1  0.378  0.303  0.529  1.0
  S  S10  1  0.114  0.600  0.146  1.0
  S  S11  1  0.400  0.886  0.354  1.0
  S  S12  1  0.886  0.400  0.854  1.0
  S  S13  1  0.600  0.114  0.646  1.0
  S  S14  1  0.583  0.279  0.043  1.0
  S  S15  1  0.721  0.417  0.457  1.0
  S  S16  1  0.417  0.721  0.957  1.0
  S  S17  1  0.279  0.583  0.543  1.0
  S  S18  1  0.251  0.449  0.839  1.0
  S  S19  1  0.551  0.749  0.661  1.0
  S  S20  1  0.749  0.551  0.161  1.0
  S  S21  1  0.449  0.251  0.339  1.0
  S  S22  1  0.286  0.152  0.085  1.0
  S  S23  1  0.848  0.714  0.415  1.0
  S  S24  1  0.714  0.848  0.915  1.0
  S  S25  1  0.152  0.286  0.585  1.0
  I  I26  1  0.988  0.012  0.250  1.0
  I  I27  1  0.012  0.988  0.750  1.0
[/CIF]
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The structure described by CeLa2Si2S8I crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(3), four equivalent S(2), and one I(1) atom. La(1) is bonded in a 9-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), three equivalent S(4), and one I(1) atom. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Si(1) atom. In the second S site, S(1) is bonded to one Ce(1), two equivalent La(1), and one Si(1) atom to form distorted SLa2CeSi trigonal pyramids that share corners with three equivalent S(1)La2CeSi trigonal pyramids, corners with three equivalent S(3)La2CeSi trigonal pyramids, corners with five equivalent S(2)LaCe2Si trigonal pyramids,  an edgeedge with one S(2)LaCe2Si trigonal pyramid, and edges with two equivalent S(3)La2CeSi trigonal pyramids. In the third S site, S(2) is bonded to two equivalent Ce(1), one La(1), and one Si(1) atom to form distorted SLaCe2Si trigonal pyramids that share corners with three equivalent S(3)La2CeSi trigonal pyramids, corners with four equivalent S(2)LaCe2Si trigonal pyramids, corners with five equivalent S(1)La2CeSi trigonal pyramids,  an edgeedge with one S(1)La2CeSi trigonal pyramid,  an edgeedge with one S(2)LaCe2Si trigonal pyramid, and edges with two equivalent S(3)La2CeSi trigonal pyramids. In the fourth S site, S(3) is bonded to one Ce(1), two equivalent La(1), and one Si(1) atom to form distorted SLa2CeSi trigonal pyramids that share corners with three equivalent S(1)La2CeSi trigonal pyramids, corners with three equivalent S(3)La2CeSi trigonal pyramids, corners with three equivalent S(2)LaCe2Si trigonal pyramids, edges with two equivalent S(1)La2CeSi trigonal pyramids, and edges with two equivalent S(2)LaCe2Si trigonal pyramids. I(1) is bonded in a distorted T-shaped geometry to one Ce(1) and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2CeSi2S8I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.001
_cell_length_b   9.001
_cell_length_c   11.025
_cell_angle_alpha   82.746
_cell_angle_beta   82.746
_cell_angle_gamma   52.688
_symmetry_Int_Tables_number   1
_cell_volume   703.385
_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
  La  La0  1  0.924  0.679  0.681  1.0
  La  La1  1  0.321  0.076  0.819  1.0
  La  La2  1  0.076  0.321  0.319  1.0
  La  La3  1  0.679  0.924  0.181  1.0
  Ce  Ce4  1  0.594  0.406  0.750  1.0
  Ce  Ce5  1  0.406  0.594  0.250  1.0
  Si  Si6  1  0.303  0.378  0.029  1.0
  Si  Si7  1  0.622  0.697  0.471  1.0
  Si  Si8  1  0.697  0.622  0.971  1.0
  Si  Si9  1  0.378  0.303  0.529  1.0
  S  S10  1  0.114  0.600  0.146  1.0
  S  S11  1  0.400  0.886  0.354  1.0
  S  S12  1  0.886  0.400  0.854  1.0
  S  S13  1  0.600  0.114  0.646  1.0
  S  S14  1  0.583  0.279  0.043  1.0
  S  S15  1  0.721  0.417  0.457  1.0
  S  S16  1  0.417  0.721  0.957  1.0
  S  S17  1  0.279  0.583  0.543  1.0
  S  S18  1  0.251  0.449  0.839  1.0
  S  S19  1  0.551  0.749  0.661  1.0
  S  S20  1  0.749  0.551  0.161  1.0
  S  S21  1  0.449  0.251  0.339  1.0
  S  S22  1  0.286  0.152  0.085  1.0
  S  S23  1  0.848  0.714  0.415  1.0
  S  S24  1  0.714  0.848  0.915  1.0
  S  S25  1  0.152  0.286  0.585  1.0
  I  I26  1  0.988  0.012  0.250  1.0
  I  I27  1  0.012  0.988  0.750  1.0
[/CIF]
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