The compound described by Sb3PbAgS6 crystallizes in the monoclinic Pc space group. Ag(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), one S(4), and one S(6) atom. Pb(1) is bonded in a 4-coordinate geometry to one S(4), one S(5), and two equivalent S(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(4), one S(5), and one S(6) atom. In the second Sb site, Sb(2) is bonded in a distorted see-saw-like geometry to one S(2), one S(3), one S(5), and one S(6) atom. In the third Sb site, Sb(3) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are six 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 Sb(3) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Ag(1), one Sb(2), and one Sb(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one Sb(2) and one Sb(3) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Ag(1), one Pb(1), and one Sb(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Pb(1), one Sb(1), and one Sb(2) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Ag(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgSb3PbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   7.586
_cell_length_c   15.338
_cell_angle_alpha   74.106
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   656.269
_cell_formula_units_Z   2
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  0.821  0.260  0.710  1.0
  Ag  Ag1  1  0.179  0.260  0.210  1.0
  Sb  Sb2  1  0.266  0.342  0.969  1.0
  Sb  Sb3  1  0.315  0.668  0.533  1.0
  Sb  Sb4  1  0.712  0.650  0.749  1.0
  Sb  Sb5  1  0.288  0.650  0.249  1.0
  Sb  Sb6  1  0.685  0.668  0.033  1.0
  Sb  Sb7  1  0.734  0.342  0.469  1.0
  Pb  Pb8  1  0.325  0.015  0.775  1.0
  Pb  Pb9  1  0.675  0.015  0.275  1.0
  S  S10  1  0.824  0.930  0.796  1.0
  S  S11  1  0.176  0.930  0.296  1.0
  S  S12  1  0.068  0.531  0.700  1.0
  S  S13  1  0.932  0.531  0.200  1.0
  S  S14  1  0.467  0.860  0.112  1.0
  S  S15  1  0.471  0.218  0.383  1.0
  S  S16  1  0.529  0.218  0.883  1.0
  S  S17  1  0.533  0.860  0.612  1.0
  S  S18  1  0.328  0.680  0.926  1.0
  S  S19  1  0.672  0.680  0.426  1.0
  S  S20  1  0.544  0.345  0.097  1.0
  S  S21  1  0.456  0.345  0.597  1.0
[/CIF]
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The compound described by Sb3PbAgS6 crystallizes in the monoclinic Pc space group. Ag(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), one S(4), and one S(6) atom. Pb(1) is bonded in a 4-coordinate geometry to one S(4), one S(5), and two equivalent S(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(4), one S(5), and one S(6) atom. In the second Sb site, Sb(2) is bonded in a distorted see-saw-like geometry to one S(2), one S(3), one S(5), and one S(6) atom. In the third Sb site, Sb(3) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are six 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 Sb(3) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Ag(1), one Sb(2), and one Sb(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one Sb(2) and one Sb(3) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Ag(1), one Pb(1), and one Sb(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Pb(1), one Sb(1), and one Sb(2) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Ag(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AgSb3PbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   7.586
_cell_length_c   15.338
_cell_angle_alpha   74.106
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   656.269
_cell_formula_units_Z   2
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  0.821  0.260  0.710  1.0
  Ag  Ag1  1  0.179  0.260  0.210  1.0
  Sb  Sb2  1  0.266  0.342  0.969  1.0
  Sb  Sb3  1  0.315  0.668  0.533  1.0
  Sb  Sb4  1  0.712  0.650  0.749  1.0
  Sb  Sb5  1  0.288  0.650  0.249  1.0
  Sb  Sb6  1  0.685  0.668  0.033  1.0
  Sb  Sb7  1  0.734  0.342  0.469  1.0
  Pb  Pb8  1  0.325  0.015  0.775  1.0
  Pb  Pb9  1  0.675  0.015  0.275  1.0
  S  S10  1  0.824  0.930  0.796  1.0
  S  S11  1  0.176  0.930  0.296  1.0
  S  S12  1  0.068  0.531  0.700  1.0
  S  S13  1  0.932  0.531  0.200  1.0
  S  S14  1  0.467  0.860  0.112  1.0
  S  S15  1  0.471  0.218  0.383  1.0
  S  S16  1  0.529  0.218  0.883  1.0
  S  S17  1  0.533  0.860  0.612  1.0
  S  S18  1  0.328  0.680  0.926  1.0
  S  S19  1  0.672  0.680  0.426  1.0
  S  S20  1  0.544  0.345  0.097  1.0
  S  S21  1  0.456  0.345  0.597  1.0
[/CIF]
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