The compound described by PbCuSbS3 crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing CuS4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), and two equivalent S(4) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(4) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Cu(1), one Pb(1), one Pb(2), and one Sb(1) atom. In the second S site, S(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Cu(1), one Pb(1), and one Sb(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Cu(1), one Pb(2), and one Sb(2) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Cu(1), one Pb(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_CuSbPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.885
_cell_length_b   8.287
_cell_length_c   8.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.075
_cell_formula_units_Z   4
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  0.245  0.278  0.432  1.0
  Cu  Cu1  1  0.745  0.722  0.932  1.0
  Cu  Cu2  1  0.755  0.278  0.432  1.0
  Cu  Cu3  1  0.255  0.722  0.932  1.0
  Sb  Sb4  1  0.500  0.069  0.060  1.0
  Sb  Sb5  1  0.000  0.931  0.560  1.0
  Sb  Sb6  1  0.500  0.491  0.658  1.0
  Sb  Sb7  1  0.000  0.509  0.158  1.0
  Pb  Pb8  1  0.500  0.930  0.513  1.0
  Pb  Pb9  1  0.000  0.070  0.013  1.0
  Pb  Pb10  1  0.500  0.552  0.173  1.0
  Pb  Pb11  1  0.000  0.448  0.673  1.0
  S  S12  1  0.000  0.769  0.798  1.0
  S  S13  1  0.000  0.244  0.292  1.0
  S  S14  1  0.269  0.561  0.479  1.0
  S  S15  1  0.500  0.756  0.792  1.0
  S  S16  1  0.231  0.439  0.979  1.0
  S  S17  1  0.765  0.111  0.645  1.0
  S  S18  1  0.731  0.561  0.479  1.0
  S  S19  1  0.235  0.111  0.645  1.0
  S  S20  1  0.769  0.439  0.979  1.0
  S  S21  1  0.265  0.889  0.145  1.0
  S  S22  1  0.500  0.231  0.298  1.0
  S  S23  1  0.735  0.889  0.145  1.0
[/CIF]
.
The compound described by PbCuSbS3 crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing CuS4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), and two equivalent S(4) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(4) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Cu(1), one Pb(1), one Pb(2), and one Sb(1) atom. In the second S site, S(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Cu(1), one Pb(1), and one Sb(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Cu(1), one Pb(2), and one Sb(2) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Cu(1), one Pb(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_CuSbPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.885
_cell_length_b   8.287
_cell_length_c   8.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.075
_cell_formula_units_Z   4
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  0.245  0.278  0.432  1.0
  Cu  Cu1  1  0.745  0.722  0.932  1.0
  Cu  Cu2  1  0.755  0.278  0.432  1.0
  Cu  Cu3  1  0.255  0.722  0.932  1.0
  Sb  Sb4  1  0.500  0.069  0.060  1.0
  Sb  Sb5  1  0.000  0.931  0.560  1.0
  Sb  Sb6  1  0.500  0.491  0.658  1.0
  Sb  Sb7  1  0.000  0.509  0.158  1.0
  Pb  Pb8  1  0.500  0.930  0.513  1.0
  Pb  Pb9  1  0.000  0.070  0.013  1.0
  Pb  Pb10  1  0.500  0.552  0.173  1.0
  Pb  Pb11  1  0.000  0.448  0.673  1.0
  S  S12  1  0.000  0.769  0.798  1.0
  S  S13  1  0.000  0.244  0.292  1.0
  S  S14  1  0.269  0.561  0.479  1.0
  S  S15  1  0.500  0.756  0.792  1.0
  S  S16  1  0.231  0.439  0.979  1.0
  S  S17  1  0.765  0.111  0.645  1.0
  S  S18  1  0.731  0.561  0.479  1.0
  S  S19  1  0.235  0.111  0.645  1.0
  S  S20  1  0.769  0.439  0.979  1.0
  S  S21  1  0.265  0.889  0.145  1.0
  S  S22  1  0.500  0.231  0.298  1.0
  S  S23  1  0.735  0.889  0.145  1.0
[/CIF]
.