The compound described by AgCuGa2S4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Ga(2)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Ga(2)S4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Ga(2)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form corner-sharing SGa2CuAg tetrahedra. is represented by the CIF card [CIF]
data_Ga2CuAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.605
_cell_length_b   6.605
_cell_length_c   6.605
_cell_angle_alpha   130.145
_cell_angle_beta   130.145
_cell_angle_gamma   73.175
_symmetry_Int_Tables_number   1
_cell_volume   164.366
_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  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  S  S4  1  0.649  0.614  0.498  1.0
  S  S5  1  0.116  0.152  0.502  1.0
  S  S6  1  0.848  0.351  0.965  1.0
  S  S7  1  0.386  0.884  0.035  1.0
[/CIF]
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The compound described by AgCuGa2S4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Ga(2)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Ga(2)S4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Ga(2)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form corner-sharing SGa2CuAg tetrahedra. is represented by the CIF card [CIF]
data_Ga2CuAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.605
_cell_length_b   6.605
_cell_length_c   6.605
_cell_angle_alpha   130.145
_cell_angle_beta   130.145
_cell_angle_gamma   73.175
_symmetry_Int_Tables_number   1
_cell_volume   164.366
_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  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  S  S4  1  0.649  0.614  0.498  1.0
  S  S5  1  0.116  0.152  0.502  1.0
  S  S6  1  0.848  0.351  0.965  1.0
  S  S7  1  0.386  0.884  0.035  1.0
[/CIF]
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