The structure described by Ag(Bi2S3)3 crystallizes in the monoclinic C2/m space group. Ag(1) is bonded to two equivalent S(2) and four equivalent S(4) atoms to form AgS6 octahedra that share corners with two equivalent Bi(2)S6 octahedra, corners with four equivalent Bi(3)S5 square pyramids, edges with two equivalent Ag(1)S6 octahedra, and edges with six equivalent Bi(3)S5 square pyramids. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one S(3), two equivalent S(5), and three equivalent S(1) atoms to form a mixture of corner and edge-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Bi site, Bi(2) is bonded to one S(2), one S(5), two equivalent S(1), and two equivalent S(3) atoms to form BiS6 octahedra that share  a cornercorner with one Ag(1)S6 octahedra,  a cornercorner with one Bi(2)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, corners with two equivalent Bi(3)S5 square pyramids, edges with two equivalent Bi(2)S6 octahedra, and edges with five equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third Bi site, Bi(3) is bonded to two equivalent S(2) and three equivalent S(4) atoms to form BiS5 square pyramids that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Bi(2)S6 octahedra, edges with three equivalent Ag(1)S6 octahedra, and edges with four equivalent Bi(3)S5 square pyramids. The corner-sharing octahedral tilt angles range from 13-64°. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Bi(2) and three equivalent Bi(1) atoms to form SBi5 square pyramids that share corners with two equivalent S(5)Bi6 octahedra, corners with two equivalent S(2)AgBi3 tetrahedra, edges with three equivalent S(5)Bi6 octahedra, and edges with four equivalent S(1)Bi5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the second S site, S(2) is bonded to one Ag(1), one Bi(2), and two equivalent Bi(3) atoms to form distorted SAgBi3 tetrahedra that share  a cornercorner with one S(5)Bi6 octahedra, corners with two equivalent S(1)Bi5 square pyramids, corners with four equivalent S(4)Ag2Bi3 square pyramids, corners with three equivalent S(2)AgBi3 tetrahedra, and edges with three equivalent S(4)Ag2Bi3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Bi(1) and two equivalent Bi(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Ag(1) and three equivalent Bi(3) atoms to form SAg2Bi3 square pyramids that share corners with two equivalent S(4)Ag2Bi3 square pyramids, corners with four equivalent S(2)AgBi3 tetrahedra, edges with five equivalent S(4)Ag2Bi3 square pyramids, and edges with three equivalent S(2)AgBi3 tetrahedra. In the fifth S site, S(5) is bonded to two equivalent Bi(2) and four equivalent Bi(1) atoms to form SBi6 octahedra that share corners with four equivalent S(1)Bi5 square pyramids, corners with two equivalent S(2)AgBi3 tetrahedra, edges with two equivalent S(5)Bi6 octahedra, and edges with six equivalent S(1)Bi5 square pyramids. is represented by the CIF card [CIF]
data_Ag(Bi2S3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   7.186
_cell_length_c   15.078
_cell_angle_alpha   81.174
_cell_angle_beta   81.174
_cell_angle_gamma   33.093
_symmetry_Int_Tables_number   1
_cell_volume   419.634
_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  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.853  0.853  0.064  1.0
  Bi  Bi2  1  0.559  0.559  0.190  1.0
  Bi  Bi3  1  0.147  0.147  0.936  1.0
  Bi  Bi4  1  0.750  0.750  0.617  1.0
  Bi  Bi5  1  0.250  0.250  0.383  1.0
  Bi  Bi6  1  0.441  0.441  0.810  1.0
  S  S7  1  0.209  0.209  0.115  1.0
  S  S8  1  0.615  0.615  0.353  1.0
  S  S9  1  0.921  0.921  0.226  1.0
  S  S10  1  0.385  0.385  0.647  1.0
  S  S11  1  0.791  0.791  0.885  1.0
  S  S12  1  0.857  0.857  0.458  1.0
  S  S13  1  0.079  0.079  0.774  1.0
  S  S14  1  0.500  0.500  0.000  1.0
  S  S15  1  0.143  0.143  0.542  1.0
[/CIF]
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The structure described by Ag(Bi2S3)3 crystallizes in the monoclinic C2/m space group. Ag(1) is bonded to two equivalent S(2) and four equivalent S(4) atoms to form AgS6 octahedra that share corners with two equivalent Bi(2)S6 octahedra, corners with four equivalent Bi(3)S5 square pyramids, edges with two equivalent Ag(1)S6 octahedra, and edges with six equivalent Bi(3)S5 square pyramids. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one S(3), two equivalent S(5), and three equivalent S(1) atoms to form a mixture of corner and edge-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Bi site, Bi(2) is bonded to one S(2), one S(5), two equivalent S(1), and two equivalent S(3) atoms to form BiS6 octahedra that share  a cornercorner with one Ag(1)S6 octahedra,  a cornercorner with one Bi(2)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, corners with two equivalent Bi(3)S5 square pyramids, edges with two equivalent Bi(2)S6 octahedra, and edges with five equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third Bi site, Bi(3) is bonded to two equivalent S(2) and three equivalent S(4) atoms to form BiS5 square pyramids that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Bi(2)S6 octahedra, edges with three equivalent Ag(1)S6 octahedra, and edges with four equivalent Bi(3)S5 square pyramids. The corner-sharing octahedral tilt angles range from 13-64°. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Bi(2) and three equivalent Bi(1) atoms to form SBi5 square pyramids that share corners with two equivalent S(5)Bi6 octahedra, corners with two equivalent S(2)AgBi3 tetrahedra, edges with three equivalent S(5)Bi6 octahedra, and edges with four equivalent S(1)Bi5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the second S site, S(2) is bonded to one Ag(1), one Bi(2), and two equivalent Bi(3) atoms to form distorted SAgBi3 tetrahedra that share  a cornercorner with one S(5)Bi6 octahedra, corners with two equivalent S(1)Bi5 square pyramids, corners with four equivalent S(4)Ag2Bi3 square pyramids, corners with three equivalent S(2)AgBi3 tetrahedra, and edges with three equivalent S(4)Ag2Bi3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Bi(1) and two equivalent Bi(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Ag(1) and three equivalent Bi(3) atoms to form SAg2Bi3 square pyramids that share corners with two equivalent S(4)Ag2Bi3 square pyramids, corners with four equivalent S(2)AgBi3 tetrahedra, edges with five equivalent S(4)Ag2Bi3 square pyramids, and edges with three equivalent S(2)AgBi3 tetrahedra. In the fifth S site, S(5) is bonded to two equivalent Bi(2) and four equivalent Bi(1) atoms to form SBi6 octahedra that share corners with four equivalent S(1)Bi5 square pyramids, corners with two equivalent S(2)AgBi3 tetrahedra, edges with two equivalent S(5)Bi6 octahedra, and edges with six equivalent S(1)Bi5 square pyramids. is represented by the CIF card [CIF]
data_Ag(Bi2S3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   7.186
_cell_length_c   15.078
_cell_angle_alpha   81.174
_cell_angle_beta   81.174
_cell_angle_gamma   33.093
_symmetry_Int_Tables_number   1
_cell_volume   419.634
_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  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.853  0.853  0.064  1.0
  Bi  Bi2  1  0.559  0.559  0.190  1.0
  Bi  Bi3  1  0.147  0.147  0.936  1.0
  Bi  Bi4  1  0.750  0.750  0.617  1.0
  Bi  Bi5  1  0.250  0.250  0.383  1.0
  Bi  Bi6  1  0.441  0.441  0.810  1.0
  S  S7  1  0.209  0.209  0.115  1.0
  S  S8  1  0.615  0.615  0.353  1.0
  S  S9  1  0.921  0.921  0.226  1.0
  S  S10  1  0.385  0.385  0.647  1.0
  S  S11  1  0.791  0.791  0.885  1.0
  S  S12  1  0.857  0.857  0.458  1.0
  S  S13  1  0.079  0.079  0.774  1.0
  S  S14  1  0.500  0.500  0.000  1.0
  S  S15  1  0.143  0.143  0.542  1.0
[/CIF]
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