The crystal structure described by Cu2ZnGeTe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Cu(2)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent Ge(1)Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent Ge(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 Cu(2)Te4 tetrahedra, and corners with four equivalent Ge(1)Te4 tetrahedra. Ge(1) is bonded to four equivalent Te(1) atoms to form GeTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Cu(2)Te4 tetrahedra, and corners with four equivalent Zn(1)Te4 tetrahedra. Te(1) is bonded to one Cu(1), one Cu(2), one Zn(1), and one Ge(1) atom to form corner-sharing TeZnCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_ZnCu2GeTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.471
_cell_length_b   7.471
_cell_length_c   7.471
_cell_angle_alpha   131.610
_cell_angle_beta   131.610
_cell_angle_gamma   70.845
_symmetry_Int_Tables_number   1
_cell_volume   228.346
_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  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  Te  Te4  1  0.123  0.113  0.489  1.0
  Te  Te5  1  0.624  0.634  0.511  1.0
  Te  Te6  1  0.366  0.877  0.990  1.0
  Te  Te7  1  0.887  0.376  0.010  1.0
[/CIF]
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The crystal structure described by Cu2ZnGeTe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Cu(2)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent Ge(1)Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent Ge(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 Cu(2)Te4 tetrahedra, and corners with four equivalent Ge(1)Te4 tetrahedra. Ge(1) is bonded to four equivalent Te(1) atoms to form GeTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Cu(2)Te4 tetrahedra, and corners with four equivalent Zn(1)Te4 tetrahedra. Te(1) is bonded to one Cu(1), one Cu(2), one Zn(1), and one Ge(1) atom to form corner-sharing TeZnCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_ZnCu2GeTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.471
_cell_length_b   7.471
_cell_length_c   7.471
_cell_angle_alpha   131.610
_cell_angle_beta   131.610
_cell_angle_gamma   70.845
_symmetry_Int_Tables_number   1
_cell_volume   228.346
_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  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  Te  Te4  1  0.123  0.113  0.489  1.0
  Te  Te5  1  0.624  0.634  0.511  1.0
  Te  Te6  1  0.366  0.877  0.990  1.0
  Te  Te7  1  0.887  0.376  0.010  1.0
[/CIF]
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