The material described by Ce2SiS5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Si(1) atom to form distorted SCe4Si trigonal bipyramids that share corners with five equivalent S(3)Ce3Si tetrahedra, corners with three equivalent S(4)Ce4 trigonal pyramids,  an edgeedge with one S(3)Ce3Si tetrahedra, edges with two equivalent S(1)Ce4Si trigonal bipyramids,  an edgeedge with one S(4)Ce4 trigonal pyramid, and  a faceface with one S(4)Ce4 trigonal pyramid. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. In the third S site, S(3) is bonded to one Ce(1), two equivalent Ce(2), and one Si(1) atom to form distorted SCe3Si tetrahedra that share corners with five equivalent S(1)Ce4Si trigonal bipyramids, corners with four equivalent S(4)Ce4 trigonal pyramids,  an edgeedge with one S(3)Ce3Si tetrahedra,  an edgeedge with one S(1)Ce4Si trigonal bipyramid, and  an edgeedge with one S(4)Ce4 trigonal pyramid. In the fourth S site, S(4) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form SCe4 trigonal pyramids that share corners with four equivalent S(3)Ce3Si tetrahedra, corners with three equivalent S(1)Ce4Si trigonal bipyramids, corners with two equivalent S(4)Ce4 trigonal pyramids,  an edgeedge with one S(3)Ce3Si tetrahedra,  an edgeedge with one S(1)Ce4Si trigonal bipyramid,  an edgeedge with one S(4)Ce4 trigonal pyramid, and  a faceface with one S(1)Ce4Si trigonal bipyramid. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ce2SiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.563
_cell_length_b   7.525
_cell_length_c   7.840
_cell_angle_alpha   78.555
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   726.371
_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  0.832  0.838  0.637  1.0
  Ce  Ce1  1  0.905  0.237  0.956  1.0
  Ce  Ce2  1  0.332  0.162  0.863  1.0
  Ce  Ce3  1  0.405  0.763  0.544  1.0
  Ce  Ce4  1  0.095  0.763  0.044  1.0
  Ce  Ce5  1  0.595  0.237  0.456  1.0
  Ce  Ce6  1  0.168  0.162  0.363  1.0
  Ce  Ce7  1  0.668  0.838  0.137  1.0
  Si  Si8  1  0.118  0.670  0.596  1.0
  Si  Si9  1  0.618  0.330  0.904  1.0
  Si  Si10  1  0.382  0.670  0.096  1.0
  Si  Si11  1  0.882  0.330  0.404  1.0
  S  S12  1  0.704  0.124  0.805  1.0
  S  S13  1  0.971  0.174  0.614  1.0
  S  S14  1  0.471  0.826  0.886  1.0
  S  S15  1  0.498  0.420  0.717  1.0
  S  S16  1  0.029  0.826  0.386  1.0
  S  S17  1  0.381  0.138  0.500  1.0
  S  S18  1  0.002  0.420  0.217  1.0
  S  S19  1  0.119  0.138  1.000  1.0
  S  S20  1  0.998  0.580  0.783  1.0
  S  S21  1  0.296  0.876  0.195  1.0
  S  S22  1  0.881  0.862  0.000  1.0
  S  S23  1  0.729  0.527  0.948  1.0
  S  S24  1  0.619  0.862  0.500  1.0
  S  S25  1  0.271  0.473  0.052  1.0
  S  S26  1  0.796  0.124  0.305  1.0
  S  S27  1  0.771  0.527  0.448  1.0
  S  S28  1  0.502  0.580  0.283  1.0
  S  S29  1  0.229  0.473  0.552  1.0
  S  S30  1  0.529  0.174  0.114  1.0
  S  S31  1  0.204  0.876  0.695  1.0
[/CIF]
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The material described by Ce2SiS5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Si(1) atom to form distorted SCe4Si trigonal bipyramids that share corners with five equivalent S(3)Ce3Si tetrahedra, corners with three equivalent S(4)Ce4 trigonal pyramids,  an edgeedge with one S(3)Ce3Si tetrahedra, edges with two equivalent S(1)Ce4Si trigonal bipyramids,  an edgeedge with one S(4)Ce4 trigonal pyramid, and  a faceface with one S(4)Ce4 trigonal pyramid. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. In the third S site, S(3) is bonded to one Ce(1), two equivalent Ce(2), and one Si(1) atom to form distorted SCe3Si tetrahedra that share corners with five equivalent S(1)Ce4Si trigonal bipyramids, corners with four equivalent S(4)Ce4 trigonal pyramids,  an edgeedge with one S(3)Ce3Si tetrahedra,  an edgeedge with one S(1)Ce4Si trigonal bipyramid, and  an edgeedge with one S(4)Ce4 trigonal pyramid. In the fourth S site, S(4) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form SCe4 trigonal pyramids that share corners with four equivalent S(3)Ce3Si tetrahedra, corners with three equivalent S(1)Ce4Si trigonal bipyramids, corners with two equivalent S(4)Ce4 trigonal pyramids,  an edgeedge with one S(3)Ce3Si tetrahedra,  an edgeedge with one S(1)Ce4Si trigonal bipyramid,  an edgeedge with one S(4)Ce4 trigonal pyramid, and  a faceface with one S(1)Ce4Si trigonal bipyramid. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ce2SiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.563
_cell_length_b   7.525
_cell_length_c   7.840
_cell_angle_alpha   78.555
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   726.371
_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  0.832  0.838  0.637  1.0
  Ce  Ce1  1  0.905  0.237  0.956  1.0
  Ce  Ce2  1  0.332  0.162  0.863  1.0
  Ce  Ce3  1  0.405  0.763  0.544  1.0
  Ce  Ce4  1  0.095  0.763  0.044  1.0
  Ce  Ce5  1  0.595  0.237  0.456  1.0
  Ce  Ce6  1  0.168  0.162  0.363  1.0
  Ce  Ce7  1  0.668  0.838  0.137  1.0
  Si  Si8  1  0.118  0.670  0.596  1.0
  Si  Si9  1  0.618  0.330  0.904  1.0
  Si  Si10  1  0.382  0.670  0.096  1.0
  Si  Si11  1  0.882  0.330  0.404  1.0
  S  S12  1  0.704  0.124  0.805  1.0
  S  S13  1  0.971  0.174  0.614  1.0
  S  S14  1  0.471  0.826  0.886  1.0
  S  S15  1  0.498  0.420  0.717  1.0
  S  S16  1  0.029  0.826  0.386  1.0
  S  S17  1  0.381  0.138  0.500  1.0
  S  S18  1  0.002  0.420  0.217  1.0
  S  S19  1  0.119  0.138  1.000  1.0
  S  S20  1  0.998  0.580  0.783  1.0
  S  S21  1  0.296  0.876  0.195  1.0
  S  S22  1  0.881  0.862  0.000  1.0
  S  S23  1  0.729  0.527  0.948  1.0
  S  S24  1  0.619  0.862  0.500  1.0
  S  S25  1  0.271  0.473  0.052  1.0
  S  S26  1  0.796  0.124  0.305  1.0
  S  S27  1  0.771  0.527  0.448  1.0
  S  S28  1  0.502  0.580  0.283  1.0
  S  S29  1  0.229  0.473  0.552  1.0
  S  S30  1  0.529  0.174  0.114  1.0
  S  S31  1  0.204  0.876  0.695  1.0
[/CIF]
.