The material structure described by AgBi3S5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form AgS6 octahedra that share corners with two equivalent Bi(2)S6 octahedra, corners with four equivalent Bi(1)S5 square pyramids, edges with two equivalent Ag(1)S6 octahedra, and edges with six equivalent Bi(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 54°. In the second Ag site, Ag(2) is bonded to two equivalent S(4) and four equivalent S(5) atoms to form AgS6 octahedra that share corners with four equivalent Bi(3)S6 octahedra, edges with two equivalent Ag(2)S6 octahedra, edges with four equivalent Bi(2)S6 octahedra, and edges with six equivalent Bi(3)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent S(2) and three equivalent S(1) 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(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 14-63°. In the second Bi site, Bi(2) is bonded to one S(2), one S(5), two equivalent S(3), and two equivalent S(4) atoms to form BiS6 octahedra that share  a cornercorner with one Ag(1)S6 octahedra, corners with three equivalent Bi(3)S6 octahedra, corners with two equivalent Bi(1)S5 square pyramids, edges with two equivalent Ag(2)S6 octahedra, edges with two equivalent Bi(2)S6 octahedra, and edges with three equivalent Bi(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the third Bi site, Bi(3) is bonded to one S(3), two equivalent S(4), and three equivalent S(5) atoms to form BiS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with three equivalent Bi(2)S6 octahedra, edges with three equivalent Ag(2)S6 octahedra, edges with three equivalent Bi(2)S6 octahedra, and edges with four equivalent Bi(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi3 square pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1), one Bi(2), and two equivalent Bi(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Bi(3) and two equivalent Bi(2) atoms. In the fourth S site, S(4) is bonded to one Ag(2), two equivalent Bi(2), and two equivalent Bi(3) atoms to form SAgBi4 square pyramids that share corners with two equivalent S(5)Ag2Bi4 octahedra,  a cornercorner with one S(4)AgBi4 square pyramid, edges with five equivalent S(5)Ag2Bi4 octahedra, and edges with two equivalent S(4)AgBi4 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the fifth S site, S(5) is bonded to two equivalent Ag(2), one Bi(2), and three equivalent Bi(3) atoms to form SAg2Bi4 octahedra that share corners with two equivalent S(5)Ag2Bi4 octahedra, corners with two equivalent S(4)AgBi4 square pyramids, edges with five equivalent S(5)Ag2Bi4 octahedra, and edges with five equivalent S(4)AgBi4 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_AgBi3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.034
_cell_length_b   7.031
_cell_length_c   16.589
_cell_angle_alpha   94.997
_cell_angle_beta   90.000
_cell_angle_gamma   106.671
_symmetry_Int_Tables_number   1
_cell_volume   448.868
_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  0.500  0.000  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.779  0.559  0.607  1.0
  Bi  Bi3  1  0.221  0.441  0.393  1.0
  Bi  Bi4  1  0.527  0.053  0.782  1.0
  Bi  Bi5  1  0.473  0.947  0.218  1.0
  Bi  Bi6  1  0.264  0.528  0.891  1.0
  Bi  Bi7  1  0.736  0.472  0.109  1.0
  S  S8  1  0.151  0.302  0.534  1.0
  S  S9  1  0.849  0.698  0.466  1.0
  S  S10  1  0.425  0.850  0.636  1.0
  S  S11  1  0.575  0.150  0.364  1.0
  S  S12  1  0.157  0.313  0.744  1.0
  S  S13  1  0.843  0.687  0.256  1.0
  S  S14  1  0.911  0.821  0.858  1.0
  S  S15  1  0.089  0.179  0.142  1.0
  S  S16  1  0.355  0.711  0.058  1.0
  S  S17  1  0.645  0.289  0.942  1.0
[/CIF]
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The material structure described by AgBi3S5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form AgS6 octahedra that share corners with two equivalent Bi(2)S6 octahedra, corners with four equivalent Bi(1)S5 square pyramids, edges with two equivalent Ag(1)S6 octahedra, and edges with six equivalent Bi(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 54°. In the second Ag site, Ag(2) is bonded to two equivalent S(4) and four equivalent S(5) atoms to form AgS6 octahedra that share corners with four equivalent Bi(3)S6 octahedra, edges with two equivalent Ag(2)S6 octahedra, edges with four equivalent Bi(2)S6 octahedra, and edges with six equivalent Bi(3)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent S(2) and three equivalent S(1) 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(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 14-63°. In the second Bi site, Bi(2) is bonded to one S(2), one S(5), two equivalent S(3), and two equivalent S(4) atoms to form BiS6 octahedra that share  a cornercorner with one Ag(1)S6 octahedra, corners with three equivalent Bi(3)S6 octahedra, corners with two equivalent Bi(1)S5 square pyramids, edges with two equivalent Ag(2)S6 octahedra, edges with two equivalent Bi(2)S6 octahedra, and edges with three equivalent Bi(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the third Bi site, Bi(3) is bonded to one S(3), two equivalent S(4), and three equivalent S(5) atoms to form BiS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with three equivalent Bi(2)S6 octahedra, edges with three equivalent Ag(2)S6 octahedra, edges with three equivalent Bi(2)S6 octahedra, and edges with four equivalent Bi(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi3 square pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1), one Bi(2), and two equivalent Bi(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Bi(3) and two equivalent Bi(2) atoms. In the fourth S site, S(4) is bonded to one Ag(2), two equivalent Bi(2), and two equivalent Bi(3) atoms to form SAgBi4 square pyramids that share corners with two equivalent S(5)Ag2Bi4 octahedra,  a cornercorner with one S(4)AgBi4 square pyramid, edges with five equivalent S(5)Ag2Bi4 octahedra, and edges with two equivalent S(4)AgBi4 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the fifth S site, S(5) is bonded to two equivalent Ag(2), one Bi(2), and three equivalent Bi(3) atoms to form SAg2Bi4 octahedra that share corners with two equivalent S(5)Ag2Bi4 octahedra, corners with two equivalent S(4)AgBi4 square pyramids, edges with five equivalent S(5)Ag2Bi4 octahedra, and edges with five equivalent S(4)AgBi4 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_AgBi3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.034
_cell_length_b   7.031
_cell_length_c   16.589
_cell_angle_alpha   94.997
_cell_angle_beta   90.000
_cell_angle_gamma   106.671
_symmetry_Int_Tables_number   1
_cell_volume   448.868
_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  0.500  0.000  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.779  0.559  0.607  1.0
  Bi  Bi3  1  0.221  0.441  0.393  1.0
  Bi  Bi4  1  0.527  0.053  0.782  1.0
  Bi  Bi5  1  0.473  0.947  0.218  1.0
  Bi  Bi6  1  0.264  0.528  0.891  1.0
  Bi  Bi7  1  0.736  0.472  0.109  1.0
  S  S8  1  0.151  0.302  0.534  1.0
  S  S9  1  0.849  0.698  0.466  1.0
  S  S10  1  0.425  0.850  0.636  1.0
  S  S11  1  0.575  0.150  0.364  1.0
  S  S12  1  0.157  0.313  0.744  1.0
  S  S13  1  0.843  0.687  0.256  1.0
  S  S14  1  0.911  0.821  0.858  1.0
  S  S15  1  0.089  0.179  0.142  1.0
  S  S16  1  0.355  0.711  0.058  1.0
  S  S17  1  0.645  0.289  0.942  1.0
[/CIF]
.