The structure described by Sm3SiS6Cl crystallizes in the monoclinic P2_1 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(6), two equivalent S(4), two equivalent S(5), and one Cl(1) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(2), two equivalent S(6), and one Cl(1) atom. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(5), one S(6), two equivalent S(3), and two equivalent Cl(1) 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 six inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one Sm(1), one Sm(2), one Sm(3), and one Si(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Sm(1), two equivalent Sm(2), and one Si(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(3), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Sm(3), two equivalent Sm(1), and one Si(1) atom. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to one Sm(2), one Sm(3), and two equivalent Sm(1) atoms. In the sixth S site, S(6) is bonded in a distorted square co-planar geometry to one Sm(1), one Sm(3), and two equivalent Sm(2) atoms. Cl(1) is bonded in a distorted square co-planar geometry to one Sm(1), one Sm(2), and two equivalent Sm(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3SiS6Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   9.940
_cell_length_c   9.995
_cell_angle_alpha   61.356
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   500.149
_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  0.251  0.136  0.641  1.0
  Sm  Sm1  1  0.251  0.646  0.235  1.0
  Sm  Sm2  1  0.248  0.226  0.127  1.0
  Sm  Sm3  1  0.751  0.864  0.359  1.0
  Sm  Sm4  1  0.751  0.354  0.765  1.0
  Sm  Sm5  1  0.748  0.774  0.873  1.0
  Si  Si6  1  0.335  0.665  0.667  1.0
  Si  Si7  1  0.835  0.335  0.333  1.0
  S  S8  1  0.967  0.668  0.667  1.0
  S  S9  1  0.467  0.332  0.333  1.0
  S  S10  1  0.985  0.417  0.478  1.0
  S  S11  1  0.981  0.474  0.109  1.0
  S  S12  1  0.980  0.111  0.409  1.0
  S  S13  1  0.485  0.583  0.522  1.0
  S  S14  1  0.481  0.526  0.891  1.0
  S  S15  1  0.480  0.889  0.591  1.0
  S  S16  1  0.723  0.090  0.745  1.0
  S  S17  1  0.722  0.744  0.161  1.0
  S  S18  1  0.223  0.910  0.255  1.0
  S  S19  1  0.222  0.256  0.839  1.0
  Cl  Cl20  1  0.721  0.162  0.091  1.0
  Cl  Cl21  1  0.221  0.838  0.909  1.0
[/CIF]
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The structure described by Sm3SiS6Cl crystallizes in the monoclinic P2_1 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(6), two equivalent S(4), two equivalent S(5), and one Cl(1) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(2), two equivalent S(6), and one Cl(1) atom. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(5), one S(6), two equivalent S(3), and two equivalent Cl(1) 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 six inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one Sm(1), one Sm(2), one Sm(3), and one Si(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Sm(1), two equivalent Sm(2), and one Si(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(3), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Sm(3), two equivalent Sm(1), and one Si(1) atom. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to one Sm(2), one Sm(3), and two equivalent Sm(1) atoms. In the sixth S site, S(6) is bonded in a distorted square co-planar geometry to one Sm(1), one Sm(3), and two equivalent Sm(2) atoms. Cl(1) is bonded in a distorted square co-planar geometry to one Sm(1), one Sm(2), and two equivalent Sm(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3SiS6Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   9.940
_cell_length_c   9.995
_cell_angle_alpha   61.356
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   500.149
_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  0.251  0.136  0.641  1.0
  Sm  Sm1  1  0.251  0.646  0.235  1.0
  Sm  Sm2  1  0.248  0.226  0.127  1.0
  Sm  Sm3  1  0.751  0.864  0.359  1.0
  Sm  Sm4  1  0.751  0.354  0.765  1.0
  Sm  Sm5  1  0.748  0.774  0.873  1.0
  Si  Si6  1  0.335  0.665  0.667  1.0
  Si  Si7  1  0.835  0.335  0.333  1.0
  S  S8  1  0.967  0.668  0.667  1.0
  S  S9  1  0.467  0.332  0.333  1.0
  S  S10  1  0.985  0.417  0.478  1.0
  S  S11  1  0.981  0.474  0.109  1.0
  S  S12  1  0.980  0.111  0.409  1.0
  S  S13  1  0.485  0.583  0.522  1.0
  S  S14  1  0.481  0.526  0.891  1.0
  S  S15  1  0.480  0.889  0.591  1.0
  S  S16  1  0.723  0.090  0.745  1.0
  S  S17  1  0.722  0.744  0.161  1.0
  S  S18  1  0.223  0.910  0.255  1.0
  S  S19  1  0.222  0.256  0.839  1.0
  Cl  Cl20  1  0.721  0.162  0.091  1.0
  Cl  Cl21  1  0.221  0.838  0.909  1.0
[/CIF]
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