The structure described by AgCuIn2S4 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 In(1)S4 tetrahedra, and corners with four equivalent In(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 In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. In the second In site, In(2) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. S(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SIn2CuAg tetrahedra. is represented by the CIF card [CIF]
data_In2CuAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.000
_cell_length_c   7.000
_cell_angle_alpha   131.591
_cell_angle_beta   131.591
_cell_angle_gamma   70.876
_symmetry_Int_Tables_number   1
_cell_volume   187.914
_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  0.750  0.250  0.500  1.0
  In  In1  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  0.651  0.643  0.528  1.0
  S  S5  1  0.115  0.123  0.472  1.0
  S  S6  1  0.877  0.349  0.992  1.0
  S  S7  1  0.357  0.885  0.008  1.0
[/CIF]
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The structure described by AgCuIn2S4 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 In(1)S4 tetrahedra, and corners with four equivalent In(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 In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. In the second In site, In(2) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. S(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SIn2CuAg tetrahedra. is represented by the CIF card [CIF]
data_In2CuAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.000
_cell_length_c   7.000
_cell_angle_alpha   131.591
_cell_angle_beta   131.591
_cell_angle_gamma   70.876
_symmetry_Int_Tables_number   1
_cell_volume   187.914
_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  0.750  0.250  0.500  1.0
  In  In1  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  0.651  0.643  0.528  1.0
  S  S5  1  0.115  0.123  0.472  1.0
  S  S6  1  0.877  0.349  0.992  1.0
  S  S7  1  0.357  0.885  0.008  1.0
[/CIF]
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