The material structure described by Ce4(SiS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to three equivalent S(1) and six 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(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Si(1) atom. In the fourth S site, S(4) is bonded to one Ce(1), two equivalent Ce(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SCe3Si tetrahedra. is represented by the CIF file [CIF]
data_Ce4(SiS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.454
_cell_length_b   11.454
_cell_length_c   11.454
_cell_angle_alpha   114.757
_cell_angle_beta   114.757
_cell_angle_gamma   114.756
_symmetry_Int_Tables_number   1
_cell_volume   859.275
_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  0.972  0.431  0.206  1.0
  Ce  Ce1  1  0.431  0.206  0.972  1.0
  Ce  Ce2  1  0.472  0.706  0.931  1.0
  Ce  Ce3  1  0.998  0.998  0.998  1.0
  Ce  Ce4  1  0.931  0.472  0.706  1.0
  Ce  Ce5  1  0.498  0.498  0.498  1.0
  Ce  Ce6  1  0.706  0.931  0.472  1.0
  Ce  Ce7  1  0.206  0.972  0.431  1.0
  Si  Si8  1  0.353  0.967  0.139  1.0
  Si  Si9  1  0.853  0.639  0.467  1.0
  Si  Si10  1  0.967  0.139  0.353  1.0
  Si  Si11  1  0.467  0.853  0.639  1.0
  Si  Si12  1  0.639  0.467  0.853  1.0
  Si  Si13  1  0.139  0.353  0.967  1.0
  S  S14  1  0.301  0.620  0.586  1.0
  S  S15  1  0.615  0.078  0.347  1.0
  S  S16  1  0.120  0.801  0.086  1.0
  S  S17  1  0.892  0.285  0.818  1.0
  S  S18  1  0.189  0.374  0.183  1.0
  S  S19  1  0.818  0.892  0.285  1.0
  S  S20  1  0.318  0.785  0.392  1.0
  S  S21  1  0.285  0.818  0.892  1.0
  S  S22  1  0.115  0.847  0.578  1.0
  S  S23  1  0.689  0.683  0.874  1.0
  S  S24  1  0.078  0.347  0.615  1.0
  S  S25  1  0.086  0.120  0.801  1.0
  S  S26  1  0.874  0.689  0.683  1.0
  S  S27  1  0.683  0.874  0.689  1.0
  S  S28  1  0.847  0.578  0.115  1.0
  S  S29  1  0.347  0.615  0.078  1.0
  S  S30  1  0.801  0.086  0.120  1.0
  S  S31  1  0.183  0.189  0.374  1.0
  S  S32  1  0.374  0.183  0.189  1.0
  S  S33  1  0.578  0.115  0.847  1.0
  S  S34  1  0.586  0.301  0.620  1.0
  S  S35  1  0.392  0.318  0.785  1.0
  S  S36  1  0.785  0.392  0.318  1.0
  S  S37  1  0.620  0.586  0.301  1.0
[/CIF]
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The material structure described by Ce4(SiS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to three equivalent S(1) and six 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(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Ce(2), two equivalent Ce(1), and one Si(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Si(1) atom. In the fourth S site, S(4) is bonded to one Ce(1), two equivalent Ce(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SCe3Si tetrahedra. is represented by the CIF file [CIF]
data_Ce4(SiS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.454
_cell_length_b   11.454
_cell_length_c   11.454
_cell_angle_alpha   114.757
_cell_angle_beta   114.757
_cell_angle_gamma   114.756
_symmetry_Int_Tables_number   1
_cell_volume   859.275
_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  0.972  0.431  0.206  1.0
  Ce  Ce1  1  0.431  0.206  0.972  1.0
  Ce  Ce2  1  0.472  0.706  0.931  1.0
  Ce  Ce3  1  0.998  0.998  0.998  1.0
  Ce  Ce4  1  0.931  0.472  0.706  1.0
  Ce  Ce5  1  0.498  0.498  0.498  1.0
  Ce  Ce6  1  0.706  0.931  0.472  1.0
  Ce  Ce7  1  0.206  0.972  0.431  1.0
  Si  Si8  1  0.353  0.967  0.139  1.0
  Si  Si9  1  0.853  0.639  0.467  1.0
  Si  Si10  1  0.967  0.139  0.353  1.0
  Si  Si11  1  0.467  0.853  0.639  1.0
  Si  Si12  1  0.639  0.467  0.853  1.0
  Si  Si13  1  0.139  0.353  0.967  1.0
  S  S14  1  0.301  0.620  0.586  1.0
  S  S15  1  0.615  0.078  0.347  1.0
  S  S16  1  0.120  0.801  0.086  1.0
  S  S17  1  0.892  0.285  0.818  1.0
  S  S18  1  0.189  0.374  0.183  1.0
  S  S19  1  0.818  0.892  0.285  1.0
  S  S20  1  0.318  0.785  0.392  1.0
  S  S21  1  0.285  0.818  0.892  1.0
  S  S22  1  0.115  0.847  0.578  1.0
  S  S23  1  0.689  0.683  0.874  1.0
  S  S24  1  0.078  0.347  0.615  1.0
  S  S25  1  0.086  0.120  0.801  1.0
  S  S26  1  0.874  0.689  0.683  1.0
  S  S27  1  0.683  0.874  0.689  1.0
  S  S28  1  0.847  0.578  0.115  1.0
  S  S29  1  0.347  0.615  0.078  1.0
  S  S30  1  0.801  0.086  0.120  1.0
  S  S31  1  0.183  0.189  0.374  1.0
  S  S32  1  0.374  0.183  0.189  1.0
  S  S33  1  0.578  0.115  0.847  1.0
  S  S34  1  0.586  0.301  0.620  1.0
  S  S35  1  0.392  0.318  0.785  1.0
  S  S36  1  0.785  0.392  0.318  1.0
  S  S37  1  0.620  0.586  0.301  1.0
[/CIF]
.