The material structure described by AgInS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ag(1) is bonded to six equivalent S(1) atoms to form AgS6 octahedra that share corners with six equivalent In(1)S6 octahedra, edges with six equivalent Ag(1)S6 octahedra, and edges with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Ag(1)S6 octahedra, and edges with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. S(1) is bonded to three equivalent Ag(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing SIn3Ag3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_InAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   3.822
_cell_length_c   6.833
_cell_angle_alpha   73.758
_cell_angle_beta   73.758
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   81.805
_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
  In  In0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.745  0.745  0.766  1.0
  S  S3  1  0.255  0.255  0.234  1.0
[/CIF]
.
The material structure described by AgInS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ag(1) is bonded to six equivalent S(1) atoms to form AgS6 octahedra that share corners with six equivalent In(1)S6 octahedra, edges with six equivalent Ag(1)S6 octahedra, and edges with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Ag(1)S6 octahedra, and edges with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. S(1) is bonded to three equivalent Ag(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing SIn3Ag3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_InAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   3.822
_cell_length_c   6.833
_cell_angle_alpha   73.758
_cell_angle_beta   73.758
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   81.805
_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
  In  In0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.745  0.745  0.766  1.0
  S  S3  1  0.255  0.255  0.234  1.0
[/CIF]
.