The compound described by AgGaS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ag(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(2) atoms. Ga(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing GaS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1) and three equivalent Ga(1) atoms to form distorted corner-sharing SGa3Ag trigonal pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Ag(1) and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_GaAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.241
_cell_length_b   7.241
_cell_length_c   7.241
_cell_angle_alpha   28.912
_cell_angle_beta   28.912
_cell_angle_gamma   28.912
_symmetry_Int_Tables_number   1
_cell_volume   78.477
_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
  Ga  Ga0  1  0.001  0.001  0.001  1.0
  Ag  Ag1  1  0.846  0.846  0.846  1.0
  S  S2  1  0.729  0.729  0.729  1.0
  S  S3  1  0.265  0.265  0.265  1.0
[/CIF]
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The compound described by AgGaS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ag(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(2) atoms. Ga(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing GaS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1) and three equivalent Ga(1) atoms to form distorted corner-sharing SGa3Ag trigonal pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Ag(1) and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_GaAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.241
_cell_length_b   7.241
_cell_length_c   7.241
_cell_angle_alpha   28.912
_cell_angle_beta   28.912
_cell_angle_gamma   28.912
_symmetry_Int_Tables_number   1
_cell_volume   78.477
_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
  Ga  Ga0  1  0.001  0.001  0.001  1.0
  Ag  Ag1  1  0.846  0.846  0.846  1.0
  S  S2  1  0.729  0.729  0.729  1.0
  S  S3  1  0.265  0.265  0.265  1.0
[/CIF]
.