The material described by AgCuIn2Te4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Te(1) atoms to form AgTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent In(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent In(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Cu(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Cu(1)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. Te(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing TeIn2CuAg tetrahedra. is represented by the CIF file [CIF]
data_In2CuAgTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.452
_cell_length_b   6.452
_cell_length_c   7.833
_cell_angle_alpha   65.679
_cell_angle_beta   65.679
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.093
_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  0.250  0.750  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  0.750  0.250  0.500  1.0
  Te  Te4  1  0.358  0.889  0.761  1.0
  Te  Te5  1  0.881  0.350  0.761  1.0
  Te  Te6  1  0.111  0.119  0.239  1.0
  Te  Te7  1  0.650  0.642  0.239  1.0
[/CIF]
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The material described by AgCuIn2Te4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Te(1) atoms to form AgTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent In(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent In(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Cu(1)Te4 tetrahedra, and corners with four equivalent In(2)Te4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with four equivalent Ag(1)Te4 tetrahedra, corners with four equivalent Cu(1)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. Te(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing TeIn2CuAg tetrahedra. is represented by the CIF file [CIF]
data_In2CuAgTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.452
_cell_length_b   6.452
_cell_length_c   7.833
_cell_angle_alpha   65.679
_cell_angle_beta   65.679
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.093
_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  0.250  0.750  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  0.750  0.250  0.500  1.0
  Te  Te4  1  0.358  0.889  0.761  1.0
  Te  Te5  1  0.881  0.350  0.761  1.0
  Te  Te6  1  0.111  0.119  0.239  1.0
  Te  Te7  1  0.650  0.642  0.239  1.0
[/CIF]
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