The compound described by LaPbCuS3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent S(3) atoms. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Pb(1)S5 square pyramids, corners with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Pb(1)S5 square pyramids. Pb(1) is bonded to one S(3) and four equivalent S(1) atoms to form distorted PbS5 square pyramids that share corners with four equivalent Pb(1)S5 square pyramids, corners with two equivalent Cu(1)S4 tetrahedra, edges with four equivalent Pb(1)S5 square pyramids, and edges with two equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one La(1), one Cu(1), and four equivalent Pb(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to three equivalent La(1), two equivalent Cu(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCuPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   8.114
_cell_length_c   16.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.259
_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
  La  La0  1  0.250  0.249  0.961  1.0
  La  La1  1  0.250  0.749  0.539  1.0
  La  La2  1  0.750  0.751  0.039  1.0
  La  La3  1  0.750  0.251  0.461  1.0
  Cu  Cu4  1  0.250  0.123  0.633  1.0
  Cu  Cu5  1  0.250  0.623  0.867  1.0
  Cu  Cu6  1  0.750  0.877  0.367  1.0
  Cu  Cu7  1  0.750  0.377  0.133  1.0
  Pb  Pb8  1  0.250  0.088  0.221  1.0
  Pb  Pb9  1  0.250  0.588  0.279  1.0
  Pb  Pb10  1  0.750  0.912  0.779  1.0
  Pb  Pb11  1  0.750  0.412  0.721  1.0
  S  S12  1  0.250  0.181  0.779  1.0
  S  S13  1  0.250  0.681  0.721  1.0
  S  S14  1  0.750  0.819  0.221  1.0
  S  S15  1  0.750  0.319  0.279  1.0
  S  S16  1  0.250  0.377  0.564  1.0
  S  S17  1  0.250  0.877  0.936  1.0
  S  S18  1  0.750  0.623  0.436  1.0
  S  S19  1  0.750  0.123  0.064  1.0
  S  S20  1  0.250  0.011  0.402  1.0
  S  S21  1  0.250  0.511  0.098  1.0
  S  S22  1  0.750  0.989  0.598  1.0
  S  S23  1  0.750  0.489  0.902  1.0
[/CIF]
.
The compound described by LaPbCuS3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent S(3) atoms. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Pb(1)S5 square pyramids, corners with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Pb(1)S5 square pyramids. Pb(1) is bonded to one S(3) and four equivalent S(1) atoms to form distorted PbS5 square pyramids that share corners with four equivalent Pb(1)S5 square pyramids, corners with two equivalent Cu(1)S4 tetrahedra, edges with four equivalent Pb(1)S5 square pyramids, and edges with two equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one La(1), one Cu(1), and four equivalent Pb(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to three equivalent La(1), two equivalent Cu(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCuPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   8.114
_cell_length_c   16.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.259
_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
  La  La0  1  0.250  0.249  0.961  1.0
  La  La1  1  0.250  0.749  0.539  1.0
  La  La2  1  0.750  0.751  0.039  1.0
  La  La3  1  0.750  0.251  0.461  1.0
  Cu  Cu4  1  0.250  0.123  0.633  1.0
  Cu  Cu5  1  0.250  0.623  0.867  1.0
  Cu  Cu6  1  0.750  0.877  0.367  1.0
  Cu  Cu7  1  0.750  0.377  0.133  1.0
  Pb  Pb8  1  0.250  0.088  0.221  1.0
  Pb  Pb9  1  0.250  0.588  0.279  1.0
  Pb  Pb10  1  0.750  0.912  0.779  1.0
  Pb  Pb11  1  0.750  0.412  0.721  1.0
  S  S12  1  0.250  0.181  0.779  1.0
  S  S13  1  0.250  0.681  0.721  1.0
  S  S14  1  0.750  0.819  0.221  1.0
  S  S15  1  0.750  0.319  0.279  1.0
  S  S16  1  0.250  0.377  0.564  1.0
  S  S17  1  0.250  0.877  0.936  1.0
  S  S18  1  0.750  0.623  0.436  1.0
  S  S19  1  0.750  0.123  0.064  1.0
  S  S20  1  0.250  0.011  0.402  1.0
  S  S21  1  0.250  0.511  0.098  1.0
  S  S22  1  0.750  0.989  0.598  1.0
  S  S23  1  0.750  0.489  0.902  1.0
[/CIF]
.