The material described by BaAgSbS3 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. In the second Ag site, Ag(2) is bonded in a distorted linear geometry to two equivalent S(1) and two equivalent S(2) atoms. Sb(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(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), one Ag(1), and one Sb(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Ag(1), one Ag(2), and one Sb(1) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ag(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaAgSbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.270
_cell_length_b   6.270
_cell_length_c   17.418
_cell_angle_alpha   81.331
_cell_angle_beta   81.331
_cell_angle_gamma   81.757
_symmetry_Int_Tables_number   1
_cell_volume   664.008
_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
  Ba  Ba0  1  0.451  0.203  0.611  1.0
  Ba  Ba1  1  0.797  0.549  0.889  1.0
  Ba  Ba2  1  0.549  0.797  0.389  1.0
  Ba  Ba3  1  0.203  0.451  0.111  1.0
  Ag  Ag4  1  0.925  0.075  0.750  1.0
  Ag  Ag5  1  0.075  0.925  0.250  1.0
  Ag  Ag6  1  0.305  0.695  0.750  1.0
  Ag  Ag7  1  0.695  0.305  0.250  1.0
  Sb  Sb8  1  0.975  0.687  0.580  1.0
  Sb  Sb9  1  0.313  0.025  0.920  1.0
  Sb  Sb10  1  0.025  0.313  0.420  1.0
  Sb  Sb11  1  0.687  0.975  0.080  1.0
  S  S12  1  0.036  0.495  0.714  1.0
  S  S13  1  0.505  0.964  0.786  1.0
  S  S14  1  0.964  0.505  0.286  1.0
  S  S15  1  0.495  0.036  0.214  1.0
  S  S16  1  0.582  0.695  0.582  1.0
  S  S17  1  0.305  0.418  0.918  1.0
  S  S18  1  0.418  0.305  0.418  1.0
  S  S19  1  0.695  0.582  0.082  1.0
  S  S20  1  0.976  0.063  0.605  1.0
  S  S21  1  0.937  0.024  0.895  1.0
  S  S22  1  0.024  0.937  0.395  1.0
  S  S23  1  0.063  0.976  0.105  1.0
[/CIF]
.
The material described by BaAgSbS3 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. In the second Ag site, Ag(2) is bonded in a distorted linear geometry to two equivalent S(1) and two equivalent S(2) atoms. Sb(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(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), one Ag(1), and one Sb(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Ag(1), one Ag(2), and one Sb(1) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ag(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaAgSbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.270
_cell_length_b   6.270
_cell_length_c   17.418
_cell_angle_alpha   81.331
_cell_angle_beta   81.331
_cell_angle_gamma   81.757
_symmetry_Int_Tables_number   1
_cell_volume   664.008
_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
  Ba  Ba0  1  0.451  0.203  0.611  1.0
  Ba  Ba1  1  0.797  0.549  0.889  1.0
  Ba  Ba2  1  0.549  0.797  0.389  1.0
  Ba  Ba3  1  0.203  0.451  0.111  1.0
  Ag  Ag4  1  0.925  0.075  0.750  1.0
  Ag  Ag5  1  0.075  0.925  0.250  1.0
  Ag  Ag6  1  0.305  0.695  0.750  1.0
  Ag  Ag7  1  0.695  0.305  0.250  1.0
  Sb  Sb8  1  0.975  0.687  0.580  1.0
  Sb  Sb9  1  0.313  0.025  0.920  1.0
  Sb  Sb10  1  0.025  0.313  0.420  1.0
  Sb  Sb11  1  0.687  0.975  0.080  1.0
  S  S12  1  0.036  0.495  0.714  1.0
  S  S13  1  0.505  0.964  0.786  1.0
  S  S14  1  0.964  0.505  0.286  1.0
  S  S15  1  0.495  0.036  0.214  1.0
  S  S16  1  0.582  0.695  0.582  1.0
  S  S17  1  0.305  0.418  0.918  1.0
  S  S18  1  0.418  0.305  0.418  1.0
  S  S19  1  0.695  0.582  0.082  1.0
  S  S20  1  0.976  0.063  0.605  1.0
  S  S21  1  0.937  0.024  0.895  1.0
  S  S22  1  0.024  0.937  0.395  1.0
  S  S23  1  0.063  0.976  0.105  1.0
[/CIF]
.