The material described by CuZn2InTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent In(1)Te4 tetrahedra and corners with eight equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to four equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. In(1) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra and corners with eight equivalent Zn(1)Te4 tetrahedra. Te(1) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form corner-sharing TeZn2InCu tetrahedra. is represented by the CIF file [CIF]
data_Zn2InCuTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.246
_cell_length_c   7.626
_cell_angle_alpha   65.824
_cell_angle_beta   65.824
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.528
_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
  Zn  Zn0  1  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.362  0.894  0.744  1.0
  Te  Te5  1  0.638  0.638  0.256  1.0
  Te  Te6  1  0.894  0.362  0.744  1.0
  Te  Te7  1  0.106  0.106  0.256  1.0
[/CIF]
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The material described by CuZn2InTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent In(1)Te4 tetrahedra and corners with eight equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to four equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent In(1)Te4 tetrahedra. In(1) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra and corners with eight equivalent Zn(1)Te4 tetrahedra. Te(1) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form corner-sharing TeZn2InCu tetrahedra. is represented by the CIF file [CIF]
data_Zn2InCuTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.246
_cell_length_c   7.626
_cell_angle_alpha   65.824
_cell_angle_beta   65.824
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.528
_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
  Zn  Zn0  1  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.362  0.894  0.744  1.0
  Te  Te5  1  0.638  0.638  0.256  1.0
  Te  Te6  1  0.894  0.362  0.744  1.0
  Te  Te7  1  0.106  0.106  0.256  1.0
[/CIF]
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