The material described by AgPbSbS3 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Imm2 space group. Ag(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form AgS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Sb(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, edges with five equivalent Pb(1)S6 octahedra, and edges with five equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Pb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Sb(1)S6 octahedra, edges with two equivalent Pb(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Sb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form SbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Sb(1)S6 octahedra, edges with two equivalent Sb(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Pb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second S site, S(2) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third S site, S(3) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the CIF card [CIF]
data_AgSbPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.020
_cell_length_b   7.020
_cell_length_c   7.020
_cell_angle_alpha   146.579
_cell_angle_beta   131.750
_cell_angle_gamma   59.965
_symmetry_Int_Tables_number   1
_cell_volume   140.871
_cell_formula_units_Z   1
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  0.001  0.001  0.000  1.0
  Sb  Sb1  1  0.333  0.333  0.000  1.0
  Pb  Pb2  1  0.669  0.669  0.000  1.0
  S  S3  1  0.485  0.985  0.500  1.0
  S  S4  1  0.172  0.672  0.500  1.0
  S  S5  1  0.841  0.341  0.500  1.0
[/CIF]
.
The material described by AgPbSbS3 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Imm2 space group. Ag(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form AgS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Sb(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, edges with five equivalent Pb(1)S6 octahedra, and edges with five equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Pb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Sb(1)S6 octahedra, edges with two equivalent Pb(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Sb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form SbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Sb(1)S6 octahedra, edges with two equivalent Sb(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Pb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second S site, S(2) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the third S site, S(3) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the CIF card [CIF]
data_AgSbPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.020
_cell_length_b   7.020
_cell_length_c   7.020
_cell_angle_alpha   146.579
_cell_angle_beta   131.750
_cell_angle_gamma   59.965
_symmetry_Int_Tables_number   1
_cell_volume   140.871
_cell_formula_units_Z   1
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  0.001  0.001  0.000  1.0
  Sb  Sb1  1  0.333  0.333  0.000  1.0
  Pb  Pb2  1  0.669  0.669  0.000  1.0
  S  S3  1  0.485  0.985  0.500  1.0
  S  S4  1  0.172  0.672  0.500  1.0
  S  S5  1  0.841  0.341  0.500  1.0
[/CIF]
.