The material described by Ag2Ga2Se3S is Stannite-like structured and crystallizes in the monoclinic C2 space group. Ag(1) is bonded to one Se(1), two equivalent Se(2), and one S(1) atom to form AgSe3S tetrahedra that share corners with four equivalent Ag(1)Se3S tetrahedra and corners with eight equivalent Ga(1)Se3S tetrahedra. Ga(1) is bonded to one Se(1), two equivalent Se(2), and one S(1) atom to form GaSe3S tetrahedra that share corners with four equivalent Ga(1)Se3S tetrahedra and corners with eight equivalent Ag(1)Se3S tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Ag(1) and two equivalent Ga(1) atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent S(1)Ga2Ag2 tetrahedra and corners with eight equivalent Se(2)Ga2Ag2 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Ag(1) and two equivalent Ga(1) atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent Se(1)Ga2Ag2 tetrahedra, corners with four equivalent Se(2)Ga2Ag2 tetrahedra, and corners with four equivalent S(1)Ga2Ag2 tetrahedra. S(1) is bonded to two equivalent Ag(1) and two equivalent Ga(1) atoms to form SGa2Ag2 tetrahedra that share corners with four equivalent Se(1)Ga2Ag2 tetrahedra and corners with eight equivalent Se(2)Ga2Ag2 tetrahedra. is represented by the CIF card [CIF]
data_Ga2Ag2Se3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.950
_cell_length_b   6.950
_cell_length_c   5.974
_cell_angle_alpha   64.917
_cell_angle_beta   64.917
_cell_angle_gamma   51.252
_symmetry_Int_Tables_number   1
_cell_volume   198.629
_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  0.740  0.503  0.619  1.0
  Ga  Ga1  1  0.497  0.260  0.381  1.0
  Ag  Ag2  1  0.257  0.986  0.137  1.0
  Ag  Ag3  1  0.014  0.743  0.863  1.0
  Se  Se4  1  0.843  0.157  0.000  1.0
  Se  Se5  1  0.625  0.875  0.721  1.0
  Se  Se6  1  0.125  0.375  0.279  1.0
  S  S7  1  0.409  0.591  0.500  1.0
[/CIF]
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The material described by Ag2Ga2Se3S is Stannite-like structured and crystallizes in the monoclinic C2 space group. Ag(1) is bonded to one Se(1), two equivalent Se(2), and one S(1) atom to form AgSe3S tetrahedra that share corners with four equivalent Ag(1)Se3S tetrahedra and corners with eight equivalent Ga(1)Se3S tetrahedra. Ga(1) is bonded to one Se(1), two equivalent Se(2), and one S(1) atom to form GaSe3S tetrahedra that share corners with four equivalent Ga(1)Se3S tetrahedra and corners with eight equivalent Ag(1)Se3S tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Ag(1) and two equivalent Ga(1) atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent S(1)Ga2Ag2 tetrahedra and corners with eight equivalent Se(2)Ga2Ag2 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Ag(1) and two equivalent Ga(1) atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent Se(1)Ga2Ag2 tetrahedra, corners with four equivalent Se(2)Ga2Ag2 tetrahedra, and corners with four equivalent S(1)Ga2Ag2 tetrahedra. S(1) is bonded to two equivalent Ag(1) and two equivalent Ga(1) atoms to form SGa2Ag2 tetrahedra that share corners with four equivalent Se(1)Ga2Ag2 tetrahedra and corners with eight equivalent Se(2)Ga2Ag2 tetrahedra. is represented by the CIF card [CIF]
data_Ga2Ag2Se3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.950
_cell_length_b   6.950
_cell_length_c   5.974
_cell_angle_alpha   64.917
_cell_angle_beta   64.917
_cell_angle_gamma   51.252
_symmetry_Int_Tables_number   1
_cell_volume   198.629
_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  0.740  0.503  0.619  1.0
  Ga  Ga1  1  0.497  0.260  0.381  1.0
  Ag  Ag2  1  0.257  0.986  0.137  1.0
  Ag  Ag3  1  0.014  0.743  0.863  1.0
  Se  Se4  1  0.843  0.157  0.000  1.0
  Se  Se5  1  0.625  0.875  0.721  1.0
  Se  Se6  1  0.125  0.375  0.279  1.0
  S  S7  1  0.409  0.591  0.500  1.0
[/CIF]
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