The compound described by CuPb2(SCl)2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to two equivalent S(1) and four equivalent Cl(1) atoms to form CuS2Cl4 octahedra that share corners with four equivalent Cu(1)S2Cl4 octahedra and corners with ten equivalent Pb(1)S5 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to five equivalent S(1) atoms to form distorted PbS5 square pyramids that share corners with five equivalent Cu(1)S2Cl4 octahedra, corners with four equivalent Pb(1)S5 square pyramids, and edges with eight equivalent Pb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 0-92°. S(1) is bonded to one Cu(1) and five equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing SCuPb5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Cl(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuPb2(SCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.704
_cell_length_b   8.704
_cell_length_c   8.704
_cell_angle_alpha   150.036
_cell_angle_beta   150.036
_cell_angle_gamma   42.889
_symmetry_Int_Tables_number   1
_cell_volume   164.049
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.337  0.337  0.000  1.0
  Pb  Pb2  1  0.663  0.663  0.000  1.0
  S  S3  1  0.169  0.169  0.000  1.0
  S  S4  1  0.831  0.831  0.000  1.0
  Cl  Cl5  1  0.500  0.000  0.500  1.0
  Cl  Cl6  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by CuPb2(SCl)2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to two equivalent S(1) and four equivalent Cl(1) atoms to form CuS2Cl4 octahedra that share corners with four equivalent Cu(1)S2Cl4 octahedra and corners with ten equivalent Pb(1)S5 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to five equivalent S(1) atoms to form distorted PbS5 square pyramids that share corners with five equivalent Cu(1)S2Cl4 octahedra, corners with four equivalent Pb(1)S5 square pyramids, and edges with eight equivalent Pb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 0-92°. S(1) is bonded to one Cu(1) and five equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing SCuPb5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Cl(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuPb2(SCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.704
_cell_length_b   8.704
_cell_length_c   8.704
_cell_angle_alpha   150.036
_cell_angle_beta   150.036
_cell_angle_gamma   42.889
_symmetry_Int_Tables_number   1
_cell_volume   164.049
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.337  0.337  0.000  1.0
  Pb  Pb2  1  0.663  0.663  0.000  1.0
  S  S3  1  0.169  0.169  0.000  1.0
  S  S4  1  0.831  0.831  0.000  1.0
  Cl  Cl5  1  0.500  0.000  0.500  1.0
  Cl  Cl6  1  0.000  0.500  0.500  1.0
[/CIF]
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