The material structure described by Ag2SnBiS4 is alpha Po-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent S(2) and four S(1,1) atoms to form AgS6 octahedra that share corners with two equivalent Sn(1)S6 octahedra, corners with four equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(2)S6 octahedra, edges with four equivalent Sn(1)S6 octahedra, and edges with four equivalent Bi(1)S6 octahedra. The corner-sharing octahedra are not tilted. In the second Ag site, Ag(2) is bonded to two S(1,1) and four S(2,2) atoms to form AgS6 octahedra that share corners with two equivalent Bi(1)S6 octahedra, corners with four equivalent Ag(2)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, edges with four equivalent Sn(1)S6 octahedra, and edges with four equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Sn(1) is bonded to two equivalent S(2) and four S(1,1) atoms to form SnS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four equivalent Sn(1)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(2)S6 octahedra, and edges with four equivalent Bi(1)S6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two S(1,1) and four S(2,2) atoms to form BiS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with four equivalent Bi(1)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Sn(1), and one Bi(1) atom to form SAg3Sn2Bi octahedra that share corners with six S(1,1)Ag3Sn2Bi octahedra; edges with four equivalent S(1)Ag3Sn2Bi octahedra; and edges with eight S(2,2)Ag3SnBi2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to one Ag(1), two equivalent Ag(2), one Sn(1), and two equivalent Bi(1) atoms to form SAg3SnBi2 octahedra that share corners with six equivalent S(2)Ag3SnBi2 octahedra; edges with four equivalent S(2)Ag3SnBi2 octahedra; and edges with eight S(1,1,1)Ag3Sn2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Sn(1), and one Bi(1) atom to form SAg3Sn2Bi octahedra that share corners with six S(1,1)Ag3Sn2Bi octahedra; edges with four equivalent S(1)Ag3Sn2Bi octahedra; and edges with eight S(2,2)Ag3SnBi2 octahedra. The corner-sharing octahedra are not tilted. In the fourth S site, S(2) is bonded to one Ag(1), two equivalent Ag(2), one Sn(1), and two equivalent Bi(1) atoms to form SAg3SnBi2 octahedra that share corners with six equivalent S(2)Ag3SnBi2 octahedra; edges with four equivalent S(2)Ag3SnBi2 octahedra; and edges with eight S(1,1,1)Ag3Sn2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Sn(1), and one Bi(1) atom to form SAg3Sn2Bi octahedra that share corners with six S(1,1)Ag3Sn2Bi octahedra; edges with four equivalent S(1)Ag3Sn2Bi octahedra; and edges with eight S(2,2)Ag3SnBi2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ag2SnBiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.897
_cell_length_b   6.897
_cell_length_c   6.897
_cell_angle_alpha   132.347
_cell_angle_beta   132.347
_cell_angle_gamma   69.682
_symmetry_Int_Tables_number   1
_cell_volume   175.805
_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  0.000  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.499  0.999  0.500  1.0
  S  S5  1  0.247  0.247  0.000  1.0
  S  S6  1  0.001  0.501  0.500  1.0
  S  S7  1  0.753  0.753  0.000  1.0
[/CIF]
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The material structure described by Ag2SnBiS4 is alpha Po-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent S(2) and four S(1,1) atoms to form AgS6 octahedra that share corners with two equivalent Sn(1)S6 octahedra, corners with four equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(2)S6 octahedra, edges with four equivalent Sn(1)S6 octahedra, and edges with four equivalent Bi(1)S6 octahedra. The corner-sharing octahedra are not tilted. In the second Ag site, Ag(2) is bonded to two S(1,1) and four S(2,2) atoms to form AgS6 octahedra that share corners with two equivalent Bi(1)S6 octahedra, corners with four equivalent Ag(2)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, edges with four equivalent Sn(1)S6 octahedra, and edges with four equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Sn(1) is bonded to two equivalent S(2) and four S(1,1) atoms to form SnS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four equivalent Sn(1)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(2)S6 octahedra, and edges with four equivalent Bi(1)S6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two S(1,1) and four S(2,2) atoms to form BiS6 octahedra that share corners with two equivalent Ag(2)S6 octahedra, corners with four equivalent Bi(1)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Sn(1), and one Bi(1) atom to form SAg3Sn2Bi octahedra that share corners with six S(1,1)Ag3Sn2Bi octahedra; edges with four equivalent S(1)Ag3Sn2Bi octahedra; and edges with eight S(2,2)Ag3SnBi2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to one Ag(1), two equivalent Ag(2), one Sn(1), and two equivalent Bi(1) atoms to form SAg3SnBi2 octahedra that share corners with six equivalent S(2)Ag3SnBi2 octahedra; edges with four equivalent S(2)Ag3SnBi2 octahedra; and edges with eight S(1,1,1)Ag3Sn2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Sn(1), and one Bi(1) atom to form SAg3Sn2Bi octahedra that share corners with six S(1,1)Ag3Sn2Bi octahedra; edges with four equivalent S(1)Ag3Sn2Bi octahedra; and edges with eight S(2,2)Ag3SnBi2 octahedra. The corner-sharing octahedra are not tilted. In the fourth S site, S(2) is bonded to one Ag(1), two equivalent Ag(2), one Sn(1), and two equivalent Bi(1) atoms to form SAg3SnBi2 octahedra that share corners with six equivalent S(2)Ag3SnBi2 octahedra; edges with four equivalent S(2)Ag3SnBi2 octahedra; and edges with eight S(1,1,1)Ag3Sn2Bi octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Sn(1), and one Bi(1) atom to form SAg3Sn2Bi octahedra that share corners with six S(1,1)Ag3Sn2Bi octahedra; edges with four equivalent S(1)Ag3Sn2Bi octahedra; and edges with eight S(2,2)Ag3SnBi2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ag2SnBiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.897
_cell_length_b   6.897
_cell_length_c   6.897
_cell_angle_alpha   132.347
_cell_angle_beta   132.347
_cell_angle_gamma   69.682
_symmetry_Int_Tables_number   1
_cell_volume   175.805
_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  0.000  1.0
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.499  0.999  0.500  1.0
  S  S5  1  0.247  0.247  0.000  1.0
  S  S6  1  0.001  0.501  0.500  1.0
  S  S7  1  0.753  0.753  0.000  1.0
[/CIF]
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