The material structure described by Ti3Te is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to eight Ti(1,1) and four equivalent Te(1) atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8Te4 cuboctahedra; edges with six equivalent Te(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Ti8Te4 cuboctahedra; faces with four equivalent Te(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1,1)Ti8Te4 cuboctahedra. In the second Ti site, Ti(1) is bonded to eight Ti(1,1,1) and four equivalent Te(1) atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8Te4 cuboctahedra; edges with six equivalent Te(1)Ti12 cuboctahedra; edges with twelve Ti(1,1,1)Ti8Te4 cuboctahedra; faces with four equivalent Te(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1,1)Ti8Te4 cuboctahedra. In the third Ti site, Ti(1) is bonded to eight Ti(1,1) and four equivalent Te(1) atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8Te4 cuboctahedra; edges with six equivalent Te(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Ti8Te4 cuboctahedra; faces with four equivalent Te(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1,1)Ti8Te4 cuboctahedra. Te(1) is bonded to twelve Ti(1,1,1) atoms to form TeTi12 cuboctahedra that share corners with six equivalent Te(1)Ti12 cuboctahedra; corners with twelve Ti(1,1)Ti8Te4 cuboctahedra; edges with eighteen Ti(1,1,1)Ti8Te4 cuboctahedra; faces with eight equivalent Te(1)Ti12 cuboctahedra; and faces with twelve Ti(1,1,1)Ti8Te4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.819
_cell_length_b   5.819
_cell_length_c   4.819
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.319
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.161  0.322  0.250  1.0
  Ti  Ti1  1  0.678  0.839  0.250  1.0
  Ti  Ti2  1  0.161  0.839  0.250  1.0
  Ti  Ti3  1  0.839  0.678  0.750  1.0
  Ti  Ti4  1  0.322  0.161  0.750  1.0
  Ti  Ti5  1  0.839  0.161  0.750  1.0
  Te  Te6  1  0.333  0.667  0.750  1.0
  Te  Te7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The material structure described by Ti3Te is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to eight Ti(1,1) and four equivalent Te(1) atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8Te4 cuboctahedra; edges with six equivalent Te(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Ti8Te4 cuboctahedra; faces with four equivalent Te(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1,1)Ti8Te4 cuboctahedra. In the second Ti site, Ti(1) is bonded to eight Ti(1,1,1) and four equivalent Te(1) atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8Te4 cuboctahedra; edges with six equivalent Te(1)Ti12 cuboctahedra; edges with twelve Ti(1,1,1)Ti8Te4 cuboctahedra; faces with four equivalent Te(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1,1)Ti8Te4 cuboctahedra. In the third Ti site, Ti(1) is bonded to eight Ti(1,1) and four equivalent Te(1) atoms to form distorted TiTi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ti12 cuboctahedra; corners with fourteen Ti(1,1)Ti8Te4 cuboctahedra; edges with six equivalent Te(1)Ti12 cuboctahedra; edges with twelve Ti(1,1)Ti8Te4 cuboctahedra; faces with four equivalent Te(1)Ti12 cuboctahedra; and faces with sixteen Ti(1,1,1)Ti8Te4 cuboctahedra. Te(1) is bonded to twelve Ti(1,1,1) atoms to form TeTi12 cuboctahedra that share corners with six equivalent Te(1)Ti12 cuboctahedra; corners with twelve Ti(1,1)Ti8Te4 cuboctahedra; edges with eighteen Ti(1,1,1)Ti8Te4 cuboctahedra; faces with eight equivalent Te(1)Ti12 cuboctahedra; and faces with twelve Ti(1,1,1)Ti8Te4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.819
_cell_length_b   5.819
_cell_length_c   4.819
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.319
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.161  0.322  0.250  1.0
  Ti  Ti1  1  0.678  0.839  0.250  1.0
  Ti  Ti2  1  0.161  0.839  0.250  1.0
  Ti  Ti3  1  0.839  0.678  0.750  1.0
  Ti  Ti4  1  0.322  0.161  0.750  1.0
  Ti  Ti5  1  0.839  0.161  0.750  1.0
  Te  Te6  1  0.333  0.667  0.750  1.0
  Te  Te7  1  0.667  0.333  0.250  1.0
[/CIF]
.