The compound described by Cu2SiTe3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with five equivalent Si(1)Te4 tetrahedra and corners with seven equivalent Cu(1)Te4 tetrahedra. Si(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form SiTe4 tetrahedra that share corners with two equivalent Si(1)Te4 tetrahedra and corners with ten equivalent Cu(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded to two equivalent Cu(1) and two equivalent Si(1) atoms to form TeCu2Si2 tetrahedra that share corners with two equivalent Te(2)Cu2Si2 tetrahedra and corners with ten equivalent Te(1)Cu3Si tetrahedra. In the second Te site, Te(1) is bonded to three equivalent Cu(1) and one Si(1) atom to form TeCu3Si tetrahedra that share corners with five equivalent Te(2)Cu2Si2 tetrahedra and corners with seven equivalent Te(1)Cu3Si tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.231
_cell_length_c   7.231
_cell_angle_alpha   145.986
_cell_angle_beta   131.899
_cell_angle_gamma   60.217
_symmetry_Int_Tables_number   1
_cell_volume   155.972
_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
  Cu  Cu0  1  0.158  0.167  0.991  1.0
  Cu  Cu1  1  0.824  0.833  0.991  1.0
  Si  Si2  1  0.518  0.500  0.018  1.0
  Te  Te3  1  0.920  0.669  0.251  1.0
  Te  Te4  1  0.583  0.331  0.251  1.0
  Te  Te5  1  0.247  0.000  0.247  1.0
[/CIF]
.
The compound described by Cu2SiTe3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with five equivalent Si(1)Te4 tetrahedra and corners with seven equivalent Cu(1)Te4 tetrahedra. Si(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form SiTe4 tetrahedra that share corners with two equivalent Si(1)Te4 tetrahedra and corners with ten equivalent Cu(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded to two equivalent Cu(1) and two equivalent Si(1) atoms to form TeCu2Si2 tetrahedra that share corners with two equivalent Te(2)Cu2Si2 tetrahedra and corners with ten equivalent Te(1)Cu3Si tetrahedra. In the second Te site, Te(1) is bonded to three equivalent Cu(1) and one Si(1) atom to form TeCu3Si tetrahedra that share corners with five equivalent Te(2)Cu2Si2 tetrahedra and corners with seven equivalent Te(1)Cu3Si tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.231
_cell_length_c   7.231
_cell_angle_alpha   145.986
_cell_angle_beta   131.899
_cell_angle_gamma   60.217
_symmetry_Int_Tables_number   1
_cell_volume   155.972
_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
  Cu  Cu0  1  0.158  0.167  0.991  1.0
  Cu  Cu1  1  0.824  0.833  0.991  1.0
  Si  Si2  1  0.518  0.500  0.018  1.0
  Te  Te3  1  0.920  0.669  0.251  1.0
  Te  Te4  1  0.583  0.331  0.251  1.0
  Te  Te5  1  0.247  0.000  0.247  1.0
[/CIF]
.