The material described by Sm4(SiS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one S(2), 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(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Si(1) atom. In the second S site, S(2) is bonded to one Sm(2), two equivalent Sm(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing SSm3Si tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Si(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Si(1) atom. is represented by the CIF file [CIF]
data_Sm4(SiS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.328
_cell_length_b   11.328
_cell_length_c   11.328
_cell_angle_alpha   114.814
_cell_angle_beta   114.814
_cell_angle_gamma   114.814
_symmetry_Int_Tables_number   1
_cell_volume   827.222
_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
  Sm  Sm0  1  0.506  0.506  0.506  1.0
  Sm  Sm1  1  0.006  0.006  0.006  1.0
  Sm  Sm2  1  0.066  0.289  0.527  1.0
  Sm  Sm3  1  0.289  0.527  0.066  1.0
  Sm  Sm4  1  0.527  0.066  0.289  1.0
  Sm  Sm5  1  0.566  0.027  0.789  1.0
  Sm  Sm6  1  0.027  0.789  0.566  1.0
  Sm  Sm7  1  0.789  0.566  0.027  1.0
  Si  Si8  1  0.359  0.147  0.532  1.0
  Si  Si9  1  0.147  0.532  0.359  1.0
  Si  Si10  1  0.532  0.359  0.147  1.0
  Si  Si11  1  0.859  0.032  0.647  1.0
  Si  Si12  1  0.032  0.647  0.859  1.0
  Si  Si13  1  0.647  0.859  0.032  1.0
  S  S14  1  0.109  0.185  0.718  1.0
  S  S15  1  0.185  0.718  0.109  1.0
  S  S16  1  0.718  0.109  0.185  1.0
  S  S17  1  0.609  0.218  0.685  1.0
  S  S18  1  0.218  0.685  0.609  1.0
  S  S19  1  0.685  0.609  0.218  1.0
  S  S20  1  0.318  0.132  0.320  1.0
  S  S21  1  0.132  0.320  0.318  1.0
  S  S22  1  0.320  0.318  0.132  1.0
  S  S23  1  0.818  0.820  0.632  1.0
  S  S24  1  0.820  0.632  0.818  1.0
  S  S25  1  0.632  0.818  0.820  1.0
  S  S26  1  0.412  0.380  0.699  1.0
  S  S27  1  0.380  0.699  0.412  1.0
  S  S28  1  0.699  0.412  0.380  1.0
  S  S29  1  0.912  0.199  0.880  1.0
  S  S30  1  0.199  0.880  0.912  1.0
  S  S31  1  0.880  0.912  0.199  1.0
  S  S32  1  0.650  0.918  0.382  1.0
  S  S33  1  0.918  0.382  0.650  1.0
  S  S34  1  0.382  0.650  0.918  1.0
  S  S35  1  0.150  0.882  0.418  1.0
  S  S36  1  0.882  0.418  0.150  1.0
  S  S37  1  0.418  0.150  0.882  1.0
[/CIF]
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The material described by Sm4(SiS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one S(2), 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(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Si(1) atom. In the second S site, S(2) is bonded to one Sm(2), two equivalent Sm(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing SSm3Si tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Si(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Si(1) atom. is represented by the CIF file [CIF]
data_Sm4(SiS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.328
_cell_length_b   11.328
_cell_length_c   11.328
_cell_angle_alpha   114.814
_cell_angle_beta   114.814
_cell_angle_gamma   114.814
_symmetry_Int_Tables_number   1
_cell_volume   827.222
_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
  Sm  Sm0  1  0.506  0.506  0.506  1.0
  Sm  Sm1  1  0.006  0.006  0.006  1.0
  Sm  Sm2  1  0.066  0.289  0.527  1.0
  Sm  Sm3  1  0.289  0.527  0.066  1.0
  Sm  Sm4  1  0.527  0.066  0.289  1.0
  Sm  Sm5  1  0.566  0.027  0.789  1.0
  Sm  Sm6  1  0.027  0.789  0.566  1.0
  Sm  Sm7  1  0.789  0.566  0.027  1.0
  Si  Si8  1  0.359  0.147  0.532  1.0
  Si  Si9  1  0.147  0.532  0.359  1.0
  Si  Si10  1  0.532  0.359  0.147  1.0
  Si  Si11  1  0.859  0.032  0.647  1.0
  Si  Si12  1  0.032  0.647  0.859  1.0
  Si  Si13  1  0.647  0.859  0.032  1.0
  S  S14  1  0.109  0.185  0.718  1.0
  S  S15  1  0.185  0.718  0.109  1.0
  S  S16  1  0.718  0.109  0.185  1.0
  S  S17  1  0.609  0.218  0.685  1.0
  S  S18  1  0.218  0.685  0.609  1.0
  S  S19  1  0.685  0.609  0.218  1.0
  S  S20  1  0.318  0.132  0.320  1.0
  S  S21  1  0.132  0.320  0.318  1.0
  S  S22  1  0.320  0.318  0.132  1.0
  S  S23  1  0.818  0.820  0.632  1.0
  S  S24  1  0.820  0.632  0.818  1.0
  S  S25  1  0.632  0.818  0.820  1.0
  S  S26  1  0.412  0.380  0.699  1.0
  S  S27  1  0.380  0.699  0.412  1.0
  S  S28  1  0.699  0.412  0.380  1.0
  S  S29  1  0.912  0.199  0.880  1.0
  S  S30  1  0.199  0.880  0.912  1.0
  S  S31  1  0.880  0.912  0.199  1.0
  S  S32  1  0.650  0.918  0.382  1.0
  S  S33  1  0.918  0.382  0.650  1.0
  S  S34  1  0.382  0.650  0.918  1.0
  S  S35  1  0.150  0.882  0.418  1.0
  S  S36  1  0.882  0.418  0.150  1.0
  S  S37  1  0.418  0.150  0.882  1.0
[/CIF]
.