The crystal structure described by Sm2SCl4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. S(1) is bonded to four equivalent Sm(1) atoms to form edge-sharing SSm4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to three equivalent Sm(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2SCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   7.036
_cell_length_c   8.272
_cell_angle_alpha   97.393
_cell_angle_beta   112.857
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.247
_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  0.685  0.423  0.786  1.0
  Sm  Sm1  1  0.899  0.077  0.214  1.0
  Sm  Sm2  1  0.315  0.577  0.214  1.0
  Sm  Sm3  1  0.101  0.923  0.786  1.0
  S  S4  1  0.934  0.750  0.000  1.0
  S  S5  1  0.066  0.250  0.000  1.0
  Cl  Cl6  1  0.306  0.575  0.824  1.0
  Cl  Cl7  1  0.482  0.925  0.176  1.0
  Cl  Cl8  1  0.694  0.425  0.176  1.0
  Cl  Cl9  1  0.518  0.075  0.824  1.0
  Cl  Cl10  1  0.700  0.679  0.559  1.0
  Cl  Cl11  1  0.140  0.821  0.441  1.0
  Cl  Cl12  1  0.300  0.321  0.441  1.0
  Cl  Cl13  1  0.860  0.179  0.559  1.0
[/CIF]
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The crystal structure described by Sm2SCl4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. S(1) is bonded to four equivalent Sm(1) atoms to form edge-sharing SSm4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to three equivalent Sm(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2SCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   7.036
_cell_length_c   8.272
_cell_angle_alpha   97.393
_cell_angle_beta   112.857
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.247
_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  0.685  0.423  0.786  1.0
  Sm  Sm1  1  0.899  0.077  0.214  1.0
  Sm  Sm2  1  0.315  0.577  0.214  1.0
  Sm  Sm3  1  0.101  0.923  0.786  1.0
  S  S4  1  0.934  0.750  0.000  1.0
  S  S5  1  0.066  0.250  0.000  1.0
  Cl  Cl6  1  0.306  0.575  0.824  1.0
  Cl  Cl7  1  0.482  0.925  0.176  1.0
  Cl  Cl8  1  0.694  0.425  0.176  1.0
  Cl  Cl9  1  0.518  0.075  0.824  1.0
  Cl  Cl10  1  0.700  0.679  0.559  1.0
  Cl  Cl11  1  0.140  0.821  0.441  1.0
  Cl  Cl12  1  0.300  0.321  0.441  1.0
  Cl  Cl13  1  0.860  0.179  0.559  1.0
[/CIF]
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