The structure described by BiTe3 is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. Bi(1) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form BiTe6 octahedra that share corners with nine equivalent Te(1)Te6 pentagonal pyramids, edges with six equivalent Bi(1)Te6 octahedra, edges with three equivalent Te(1)Te6 pentagonal pyramids, and  a faceface with one Te(1)Te6 pentagonal pyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form distorted TeTe6 pentagonal pyramids that share corners with nine equivalent Bi(1)Te6 octahedra, edges with three equivalent Bi(1)Te6 octahedra, edges with six equivalent Te(1)Te6 pentagonal pyramids, and  a faceface with one Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 2-45°. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to three equivalent Bi(1) and three equivalent Te(1) atoms. In the third Te site, Te(3) is bonded to three equivalent Bi(1) and three equivalent Te(1) atoms to form edge-sharing TeBi3Te3 octahedra. is represented by the CIF file [CIF]
data_BiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.658
_cell_length_b   8.658
_cell_length_c   8.658
_cell_angle_alpha   28.872
_cell_angle_beta   28.872
_cell_angle_gamma   28.872
_symmetry_Int_Tables_number   1
_cell_volume   133.810
_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
  Bi  Bi0  1  0.607  0.607  0.607  1.0
  Te  Te1  1  0.777  0.777  0.777  1.0
  Te  Te2  1  0.023  0.023  0.023  1.0
  Te  Te3  1  0.195  0.195  0.195  1.0
[/CIF]
.
The structure described by BiTe3 is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. Bi(1) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form BiTe6 octahedra that share corners with nine equivalent Te(1)Te6 pentagonal pyramids, edges with six equivalent Bi(1)Te6 octahedra, edges with three equivalent Te(1)Te6 pentagonal pyramids, and  a faceface with one Te(1)Te6 pentagonal pyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form distorted TeTe6 pentagonal pyramids that share corners with nine equivalent Bi(1)Te6 octahedra, edges with three equivalent Bi(1)Te6 octahedra, edges with six equivalent Te(1)Te6 pentagonal pyramids, and  a faceface with one Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 2-45°. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to three equivalent Bi(1) and three equivalent Te(1) atoms. In the third Te site, Te(3) is bonded to three equivalent Bi(1) and three equivalent Te(1) atoms to form edge-sharing TeBi3Te3 octahedra. is represented by the CIF file [CIF]
data_BiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.658
_cell_length_b   8.658
_cell_length_c   8.658
_cell_angle_alpha   28.872
_cell_angle_beta   28.872
_cell_angle_gamma   28.872
_symmetry_Int_Tables_number   1
_cell_volume   133.810
_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
  Bi  Bi0  1  0.607  0.607  0.607  1.0
  Te  Te1  1  0.777  0.777  0.777  1.0
  Te  Te2  1  0.023  0.023  0.023  1.0
  Te  Te3  1  0.195  0.195  0.195  1.0
[/CIF]
.