The compound described by AgPbAsS3 crystallizes in the monoclinic P2_1/c space group. Ag(1) is bonded in a rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Ag(1), two equivalent Pb(1), and one As(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ag(1) and one As(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ag(1), two equivalent Pb(1), and one As(1) atom. is represented by the CIF file [CIF]
data_AgAsPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.718
_cell_length_b   6.117
_cell_length_c   7.557
_cell_angle_alpha   89.023
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.893
_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
  Ag  Ag0  1  0.764  0.191  0.389  1.0
  Ag  Ag1  1  0.736  0.191  0.889  1.0
  Ag  Ag2  1  0.264  0.809  0.111  1.0
  Ag  Ag3  1  0.236  0.809  0.611  1.0
  As  As4  1  0.904  0.729  0.651  1.0
  As  As5  1  0.096  0.271  0.349  1.0
  As  As6  1  0.596  0.729  0.151  1.0
  As  As7  1  0.404  0.271  0.849  1.0
  Pb  Pb8  1  0.587  0.738  0.654  1.0
  Pb  Pb9  1  0.087  0.262  0.846  1.0
  Pb  Pb10  1  0.413  0.262  0.346  1.0
  Pb  Pb11  1  0.913  0.738  0.154  1.0
  S  S12  1  0.451  0.721  0.334  1.0
  S  S13  1  0.951  0.279  0.166  1.0
  S  S14  1  0.549  0.279  0.666  1.0
  S  S15  1  0.049  0.721  0.834  1.0
  S  S16  1  0.129  0.902  0.344  1.0
  S  S17  1  0.629  0.098  0.156  1.0
  S  S18  1  0.871  0.098  0.656  1.0
  S  S19  1  0.782  0.617  0.857  1.0
  S  S20  1  0.718  0.617  0.357  1.0
  S  S21  1  0.218  0.383  0.143  1.0
  S  S22  1  0.282  0.383  0.643  1.0
  S  S23  1  0.371  0.902  0.844  1.0
[/CIF]
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The compound described by AgPbAsS3 crystallizes in the monoclinic P2_1/c space group. Ag(1) is bonded in a rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Ag(1), two equivalent Pb(1), and one As(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ag(1) and one As(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ag(1), two equivalent Pb(1), and one As(1) atom. is represented by the CIF file [CIF]
data_AgAsPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.718
_cell_length_b   6.117
_cell_length_c   7.557
_cell_angle_alpha   89.023
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.893
_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
  Ag  Ag0  1  0.764  0.191  0.389  1.0
  Ag  Ag1  1  0.736  0.191  0.889  1.0
  Ag  Ag2  1  0.264  0.809  0.111  1.0
  Ag  Ag3  1  0.236  0.809  0.611  1.0
  As  As4  1  0.904  0.729  0.651  1.0
  As  As5  1  0.096  0.271  0.349  1.0
  As  As6  1  0.596  0.729  0.151  1.0
  As  As7  1  0.404  0.271  0.849  1.0
  Pb  Pb8  1  0.587  0.738  0.654  1.0
  Pb  Pb9  1  0.087  0.262  0.846  1.0
  Pb  Pb10  1  0.413  0.262  0.346  1.0
  Pb  Pb11  1  0.913  0.738  0.154  1.0
  S  S12  1  0.451  0.721  0.334  1.0
  S  S13  1  0.951  0.279  0.166  1.0
  S  S14  1  0.549  0.279  0.666  1.0
  S  S15  1  0.049  0.721  0.834  1.0
  S  S16  1  0.129  0.902  0.344  1.0
  S  S17  1  0.629  0.098  0.156  1.0
  S  S18  1  0.871  0.098  0.656  1.0
  S  S19  1  0.782  0.617  0.857  1.0
  S  S20  1  0.718  0.617  0.357  1.0
  S  S21  1  0.218  0.383  0.143  1.0
  S  S22  1  0.282  0.383  0.643  1.0
  S  S23  1  0.371  0.902  0.844  1.0
[/CIF]
.