The compound described by Cd5(S2Cl)2 crystallizes in the monoclinic Cm space group. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(2), two equivalent S(1), and one Cl(1) atom to form CdS3Cl tetrahedra that share corners with two equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with three equivalent Cd(2)S3Cl tetrahedra, corners with three equivalent Cd(3)S3Cl tetrahedra, and  a cornercorner with one Cd(4)S3Cl2 trigonal bipyramid. In the second Cd site, Cd(2) is bonded to one S(1), two equivalent S(3), and one Cl(1) atom to form CdS3Cl tetrahedra that share corners with two equivalent Cd(2)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with three equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(3)S3Cl tetrahedra. In the third Cd site, Cd(3) is bonded to one S(1), two equivalent S(4), and one Cl(1) atom to form CdS3Cl tetrahedra that share corners with two equivalent Cd(3)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with three equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(2)S3Cl tetrahedra. In the fourth Cd site, Cd(4) is bonded to one S(2), one S(3), one S(4), and two equivalent Cl(2) atoms to form CdS3Cl2 trigonal bipyramids that share  a cornercorner with one Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(2)S3Cl tetrahedra, corners with two equivalent Cd(3)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(5)S4 tetrahedra. In the fifth Cd site, Cd(5) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form distorted CdS4 tetrahedra that share corners with two equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(2)S3Cl tetrahedra, corners with two equivalent Cd(3)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(4)S3Cl2 trigonal bipyramid. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Cd(2), one Cd(3), and two equivalent Cd(1) atoms to form corner-sharing SCd4 trigonal pyramids. In the second S site, S(2) is bonded to one Cd(1), one Cd(4), and two equivalent Cd(5) atoms to form corner-sharing SCd4 tetrahedra. In the third S site, S(3) is bonded to one Cd(4), one Cd(5), and two equivalent Cd(2) atoms to form a mixture of corner and edge-sharing SCd4 tetrahedra. In the fourth S site, S(4) is bonded to one Cd(4), one Cd(5), and two equivalent Cd(3) atoms to form a mixture of corner and edge-sharing SCd4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to one Cd(1), one Cd(2), and one Cd(3) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Cd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd5(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.596
_cell_length_b   7.596
_cell_length_c   9.849
_cell_angle_alpha   80.898
_cell_angle_beta   80.898
_cell_angle_gamma   32.651
_symmetry_Int_Tables_number   1
_cell_volume   302.372
_cell_formula_units_Z   1
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  0.450  0.450  0.923  1.0
  Cd  Cd1  1  0.161  0.161  0.995  1.0
  Cd  Cd2  1  0.165  0.165  0.620  1.0
  Cd  Cd3  1  0.546  0.546  0.336  1.0
  Cd  Cd4  1  0.815  0.815  0.265  1.0
  S  S5  1  0.039  0.039  0.837  1.0
  S  S6  1  0.405  0.405  0.185  1.0
  S  S7  1  0.675  0.675  0.125  1.0
  S  S8  1  0.689  0.689  0.485  1.0
  Cl  Cl9  1  0.304  0.304  0.795  1.0
  Cl  Cl10  1  0.973  0.973  0.464  1.0
[/CIF]
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The compound described by Cd5(S2Cl)2 crystallizes in the monoclinic Cm space group. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(2), two equivalent S(1), and one Cl(1) atom to form CdS3Cl tetrahedra that share corners with two equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with three equivalent Cd(2)S3Cl tetrahedra, corners with three equivalent Cd(3)S3Cl tetrahedra, and  a cornercorner with one Cd(4)S3Cl2 trigonal bipyramid. In the second Cd site, Cd(2) is bonded to one S(1), two equivalent S(3), and one Cl(1) atom to form CdS3Cl tetrahedra that share corners with two equivalent Cd(2)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with three equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(3)S3Cl tetrahedra. In the third Cd site, Cd(3) is bonded to one S(1), two equivalent S(4), and one Cl(1) atom to form CdS3Cl tetrahedra that share corners with two equivalent Cd(3)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with three equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(2)S3Cl tetrahedra. In the fourth Cd site, Cd(4) is bonded to one S(2), one S(3), one S(4), and two equivalent Cl(2) atoms to form CdS3Cl2 trigonal bipyramids that share  a cornercorner with one Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(2)S3Cl tetrahedra, corners with two equivalent Cd(3)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(5)S4 tetrahedra. In the fifth Cd site, Cd(5) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form distorted CdS4 tetrahedra that share corners with two equivalent Cd(1)S3Cl tetrahedra, corners with two equivalent Cd(2)S3Cl tetrahedra, corners with two equivalent Cd(3)S3Cl tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, corners with two equivalent Cd(4)S3Cl2 trigonal bipyramids, and  an edgeedge with one Cd(4)S3Cl2 trigonal bipyramid. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Cd(2), one Cd(3), and two equivalent Cd(1) atoms to form corner-sharing SCd4 trigonal pyramids. In the second S site, S(2) is bonded to one Cd(1), one Cd(4), and two equivalent Cd(5) atoms to form corner-sharing SCd4 tetrahedra. In the third S site, S(3) is bonded to one Cd(4), one Cd(5), and two equivalent Cd(2) atoms to form a mixture of corner and edge-sharing SCd4 tetrahedra. In the fourth S site, S(4) is bonded to one Cd(4), one Cd(5), and two equivalent Cd(3) atoms to form a mixture of corner and edge-sharing SCd4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to one Cd(1), one Cd(2), and one Cd(3) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Cd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd5(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.596
_cell_length_b   7.596
_cell_length_c   9.849
_cell_angle_alpha   80.898
_cell_angle_beta   80.898
_cell_angle_gamma   32.651
_symmetry_Int_Tables_number   1
_cell_volume   302.372
_cell_formula_units_Z   1
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  0.450  0.450  0.923  1.0
  Cd  Cd1  1  0.161  0.161  0.995  1.0
  Cd  Cd2  1  0.165  0.165  0.620  1.0
  Cd  Cd3  1  0.546  0.546  0.336  1.0
  Cd  Cd4  1  0.815  0.815  0.265  1.0
  S  S5  1  0.039  0.039  0.837  1.0
  S  S6  1  0.405  0.405  0.185  1.0
  S  S7  1  0.675  0.675  0.125  1.0
  S  S8  1  0.689  0.689  0.485  1.0
  Cl  Cl9  1  0.304  0.304  0.795  1.0
  Cl  Cl10  1  0.973  0.973  0.464  1.0
[/CIF]
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