The crystal structure 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 two equivalent S(3), two equivalent S(4), two equivalent S(5), and three equivalent S(1) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(3), one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms. Si(1) is bonded in a trigonal non-coplanar geometry to one S(2), one S(3), and one S(4) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ce(2) and three equivalent Ce(1) atoms. In the second S site, S(2) is bonded in a trigonal planar geometry to two equivalent Ce(2) and one Si(1) atom. In the third S site, S(3) is bonded to one Ce(2), two equivalent Ce(1), and one Si(1) atom to form corner-sharing SCe3Si trigonal pyramids. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Ce(2) and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2SiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.623
_cell_length_b   8.560
_cell_length_c   11.260
_cell_angle_alpha   88.119
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   734.338
_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  0.453  0.486  0.320  1.0
  Ce  Ce1  1  0.953  0.514  0.180  1.0
  Ce  Ce2  1  0.547  0.514  0.680  1.0
  Ce  Ce3  1  0.047  0.486  0.820  1.0
  Ce  Ce4  1  0.593  0.250  0.997  1.0
  Ce  Ce5  1  0.093  0.750  0.503  1.0
  Ce  Ce6  1  0.407  0.750  0.003  1.0
  Ce  Ce7  1  0.907  0.250  0.497  1.0
  Si  Si8  1  0.917  0.900  0.838  1.0
  Si  Si9  1  0.417  0.100  0.662  1.0
  Si  Si10  1  0.083  0.100  0.162  1.0
  Si  Si11  1  0.583  0.900  0.338  1.0
  S  S12  1  0.328  0.456  0.080  1.0
  S  S13  1  0.828  0.544  0.420  1.0
  S  S14  1  0.672  0.544  0.920  1.0
  S  S15  1  0.172  0.456  0.580  1.0
  S  S16  1  0.154  0.042  0.595  1.0
  S  S17  1  0.654  0.958  0.905  1.0
  S  S18  1  0.846  0.958  0.405  1.0
  S  S19  1  0.346  0.042  0.095  1.0
  S  S20  1  0.355  0.272  0.804  1.0
  S  S21  1  0.855  0.728  0.696  1.0
  S  S22  1  0.645  0.728  0.196  1.0
  S  S23  1  0.145  0.272  0.304  1.0
  S  S24  1  0.972  0.263  0.018  1.0
  S  S25  1  0.472  0.737  0.482  1.0
  S  S26  1  0.028  0.737  0.982  1.0
  S  S27  1  0.528  0.263  0.518  1.0
  S  S28  1  0.691  0.286  0.231  1.0
  S  S29  1  0.191  0.714  0.269  1.0
  S  S30  1  0.309  0.714  0.769  1.0
  S  S31  1  0.809  0.286  0.731  1.0
[/CIF]
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The crystal structure 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 two equivalent S(3), two equivalent S(4), two equivalent S(5), and three equivalent S(1) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(3), one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms. Si(1) is bonded in a trigonal non-coplanar geometry to one S(2), one S(3), and one S(4) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ce(2) and three equivalent Ce(1) atoms. In the second S site, S(2) is bonded in a trigonal planar geometry to two equivalent Ce(2) and one Si(1) atom. In the third S site, S(3) is bonded to one Ce(2), two equivalent Ce(1), and one Si(1) atom to form corner-sharing SCe3Si trigonal pyramids. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Ce(2) and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2SiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.623
_cell_length_b   8.560
_cell_length_c   11.260
_cell_angle_alpha   88.119
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   734.338
_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  0.453  0.486  0.320  1.0
  Ce  Ce1  1  0.953  0.514  0.180  1.0
  Ce  Ce2  1  0.547  0.514  0.680  1.0
  Ce  Ce3  1  0.047  0.486  0.820  1.0
  Ce  Ce4  1  0.593  0.250  0.997  1.0
  Ce  Ce5  1  0.093  0.750  0.503  1.0
  Ce  Ce6  1  0.407  0.750  0.003  1.0
  Ce  Ce7  1  0.907  0.250  0.497  1.0
  Si  Si8  1  0.917  0.900  0.838  1.0
  Si  Si9  1  0.417  0.100  0.662  1.0
  Si  Si10  1  0.083  0.100  0.162  1.0
  Si  Si11  1  0.583  0.900  0.338  1.0
  S  S12  1  0.328  0.456  0.080  1.0
  S  S13  1  0.828  0.544  0.420  1.0
  S  S14  1  0.672  0.544  0.920  1.0
  S  S15  1  0.172  0.456  0.580  1.0
  S  S16  1  0.154  0.042  0.595  1.0
  S  S17  1  0.654  0.958  0.905  1.0
  S  S18  1  0.846  0.958  0.405  1.0
  S  S19  1  0.346  0.042  0.095  1.0
  S  S20  1  0.355  0.272  0.804  1.0
  S  S21  1  0.855  0.728  0.696  1.0
  S  S22  1  0.645  0.728  0.196  1.0
  S  S23  1  0.145  0.272  0.304  1.0
  S  S24  1  0.972  0.263  0.018  1.0
  S  S25  1  0.472  0.737  0.482  1.0
  S  S26  1  0.028  0.737  0.982  1.0
  S  S27  1  0.528  0.263  0.518  1.0
  S  S28  1  0.691  0.286  0.231  1.0
  S  S29  1  0.191  0.714  0.269  1.0
  S  S30  1  0.309  0.714  0.769  1.0
  S  S31  1  0.809  0.286  0.731  1.0
[/CIF]
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