The material described by Cd5(S2Cl)2 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. In the second Cd site, Cd(2) is bonded to four equivalent S(1) atoms to form distorted CdS4 trigonal pyramids that share corners with four equivalent Cd(3)S2Cl2 trigonal pyramids and edges with two equivalent Cd(2)S4 trigonal pyramids. In the third Cd site, Cd(3) is bonded to two equivalent S(1) and two equivalent Cl(1) atoms to form CdS2Cl2 trigonal pyramids that share corners with four equivalent Cd(2)S4 trigonal pyramids and  an edgeedge with one Cd(3)S2Cl2 trigonal pyramid. S(1) is bonded in a distorted see-saw-like geometry to one Cd(1), one Cd(3), and two equivalent Cd(2) atoms. Cl(1) is bonded in an L-shaped geometry to two equivalent Cd(3) atoms. is represented by the CIF file [CIF]
data_Cd5(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.183
_cell_length_b   10.183
_cell_length_c   10.183
_cell_angle_alpha   141.384
_cell_angle_beta   101.287
_cell_angle_gamma   91.314
_symmetry_Int_Tables_number   1
_cell_volume   618.955
_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
  Cd  Cd0  1  0.750  0.750  0.000  1.0
  Cd  Cd1  1  0.250  0.250  0.000  1.0
  Cd  Cd2  1  0.453  0.750  0.703  1.0
  Cd  Cd3  1  0.047  0.750  0.297  1.0
  Cd  Cd4  1  0.547  0.250  0.297  1.0
  Cd  Cd5  1  0.953  0.250  0.703  1.0
  Cd  Cd6  1  0.902  0.695  0.597  1.0
  Cd  Cd7  1  0.098  0.305  0.403  1.0
  Cd  Cd8  1  0.598  0.195  0.793  1.0
  Cd  Cd9  1  0.402  0.805  0.207  1.0
  S  S10  1  0.022  0.966  0.661  1.0
  S  S11  1  0.305  0.360  0.339  1.0
  S  S12  1  0.478  0.140  0.945  1.0
  S  S13  1  0.195  0.534  0.055  1.0
  S  S14  1  0.978  0.034  0.339  1.0
  S  S15  1  0.695  0.640  0.661  1.0
  S  S16  1  0.522  0.860  0.055  1.0
  S  S17  1  0.805  0.466  0.945  1.0
  Cl  Cl18  1  0.606  0.808  0.413  1.0
  Cl  Cl19  1  0.394  0.192  0.587  1.0
  Cl  Cl20  1  0.894  0.308  0.202  1.0
  Cl  Cl21  1  0.106  0.692  0.798  1.0
[/CIF]
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The material described by Cd5(S2Cl)2 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. In the second Cd site, Cd(2) is bonded to four equivalent S(1) atoms to form distorted CdS4 trigonal pyramids that share corners with four equivalent Cd(3)S2Cl2 trigonal pyramids and edges with two equivalent Cd(2)S4 trigonal pyramids. In the third Cd site, Cd(3) is bonded to two equivalent S(1) and two equivalent Cl(1) atoms to form CdS2Cl2 trigonal pyramids that share corners with four equivalent Cd(2)S4 trigonal pyramids and  an edgeedge with one Cd(3)S2Cl2 trigonal pyramid. S(1) is bonded in a distorted see-saw-like geometry to one Cd(1), one Cd(3), and two equivalent Cd(2) atoms. Cl(1) is bonded in an L-shaped geometry to two equivalent Cd(3) atoms. is represented by the CIF file [CIF]
data_Cd5(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.183
_cell_length_b   10.183
_cell_length_c   10.183
_cell_angle_alpha   141.384
_cell_angle_beta   101.287
_cell_angle_gamma   91.314
_symmetry_Int_Tables_number   1
_cell_volume   618.955
_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
  Cd  Cd0  1  0.750  0.750  0.000  1.0
  Cd  Cd1  1  0.250  0.250  0.000  1.0
  Cd  Cd2  1  0.453  0.750  0.703  1.0
  Cd  Cd3  1  0.047  0.750  0.297  1.0
  Cd  Cd4  1  0.547  0.250  0.297  1.0
  Cd  Cd5  1  0.953  0.250  0.703  1.0
  Cd  Cd6  1  0.902  0.695  0.597  1.0
  Cd  Cd7  1  0.098  0.305  0.403  1.0
  Cd  Cd8  1  0.598  0.195  0.793  1.0
  Cd  Cd9  1  0.402  0.805  0.207  1.0
  S  S10  1  0.022  0.966  0.661  1.0
  S  S11  1  0.305  0.360  0.339  1.0
  S  S12  1  0.478  0.140  0.945  1.0
  S  S13  1  0.195  0.534  0.055  1.0
  S  S14  1  0.978  0.034  0.339  1.0
  S  S15  1  0.695  0.640  0.661  1.0
  S  S16  1  0.522  0.860  0.055  1.0
  S  S17  1  0.805  0.466  0.945  1.0
  Cl  Cl18  1  0.606  0.808  0.413  1.0
  Cl  Cl19  1  0.394  0.192  0.587  1.0
  Cl  Cl20  1  0.894  0.308  0.202  1.0
  Cl  Cl21  1  0.106  0.692  0.798  1.0
[/CIF]
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