The crystal structure described by Cu2ZnSiTe4 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 Cu(1)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent Si(1)Te4 tetrahedra. Zn(1) is bonded to four equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with four equivalent Si(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Si(1) is bonded to four equivalent Te(1) atoms to form SiTe4 tetrahedra that share corners with four equivalent Zn(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Cu(1), one Zn(1), and one Si(1) atom to form corner-sharing TeZnCu2Si tetrahedra. is represented by the CIF card [CIF]
data_ZnCu2SiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   7.295
_cell_length_c   7.295
_cell_angle_alpha   131.634
_cell_angle_beta   131.634
_cell_angle_gamma   70.807
_symmetry_Int_Tables_number   1
_cell_volume   212.439
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Si  Si3  1  0.500  0.500  0.000  1.0
  Te  Te4  1  0.388  0.871  0.000  1.0
  Te  Te5  1  0.871  0.388  0.000  1.0
  Te  Te6  1  0.612  0.612  0.484  1.0
  Te  Te7  1  0.129  0.129  0.516  1.0
[/CIF]
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The crystal structure described by Cu2ZnSiTe4 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 Cu(1)Te4 tetrahedra, corners with four equivalent Zn(1)Te4 tetrahedra, and corners with four equivalent Si(1)Te4 tetrahedra. Zn(1) is bonded to four equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with four equivalent Si(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Si(1) is bonded to four equivalent Te(1) atoms to form SiTe4 tetrahedra that share corners with four equivalent Zn(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Cu(1), one Zn(1), and one Si(1) atom to form corner-sharing TeZnCu2Si tetrahedra. is represented by the CIF card [CIF]
data_ZnCu2SiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   7.295
_cell_length_c   7.295
_cell_angle_alpha   131.634
_cell_angle_beta   131.634
_cell_angle_gamma   70.807
_symmetry_Int_Tables_number   1
_cell_volume   212.439
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Si  Si3  1  0.500  0.500  0.000  1.0
  Te  Te4  1  0.388  0.871  0.000  1.0
  Te  Te5  1  0.871  0.388  0.000  1.0
  Te  Te6  1  0.612  0.612  0.484  1.0
  Te  Te7  1  0.129  0.129  0.516  1.0
[/CIF]
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