The compound described by Ti2VTe4 crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Te(1), one Te(2), two equivalent Te(3), and two equivalent Te(4) atoms to form TiTe6 octahedra that share corners with six equivalent Ti(2)Te6 octahedra, corners with six equivalent V(1)Te6 octahedra, edges with two equivalent Ti(1)Te6 octahedra,  a faceface with one Ti(2)Te6 octahedra, and  a faceface with one V(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the second Ti site, Ti(2) is bonded to one Te(1), one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms to form distorted TiTe6 octahedra that share corners with six equivalent Ti(1)Te6 octahedra, edges with two equivalent Ti(2)Te6 octahedra, edges with four equivalent V(1)Te6 octahedra, and  a faceface with one Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. V(1) is bonded to one Te(2), one Te(4), two equivalent Te(1), and two equivalent Te(3) atoms to form distorted VTe6 octahedra that share corners with six equivalent Ti(1)Te6 octahedra, edges with two equivalent V(1)Te6 octahedra, edges with four equivalent Ti(2)Te6 octahedra, and  a faceface with one Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), and two equivalent V(1) atoms. In the second Te site, Te(2) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one V(1) atom. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Ti(2), two equivalent Ti(1), and two equivalent V(1) atoms. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2VTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   6.990
_cell_angle_alpha   62.503
_cell_angle_beta   62.503
_cell_angle_gamma   30.421
_symmetry_Int_Tables_number   1
_cell_volume   170.027
_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
  Ti  Ti0  1  0.002  0.002  0.997  1.0
  Ti  Ti1  1  0.249  0.249  0.706  1.0
  V  V2  1  0.749  0.749  0.295  1.0
  Te  Te3  1  0.110  0.110  0.545  1.0
  Te  Te4  1  0.891  0.891  0.449  1.0
  Te  Te5  1  0.363  0.363  0.971  1.0
  Te  Te6  1  0.636  0.636  0.037  1.0
[/CIF]
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The compound described by Ti2VTe4 crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Te(1), one Te(2), two equivalent Te(3), and two equivalent Te(4) atoms to form TiTe6 octahedra that share corners with six equivalent Ti(2)Te6 octahedra, corners with six equivalent V(1)Te6 octahedra, edges with two equivalent Ti(1)Te6 octahedra,  a faceface with one Ti(2)Te6 octahedra, and  a faceface with one V(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the second Ti site, Ti(2) is bonded to one Te(1), one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms to form distorted TiTe6 octahedra that share corners with six equivalent Ti(1)Te6 octahedra, edges with two equivalent Ti(2)Te6 octahedra, edges with four equivalent V(1)Te6 octahedra, and  a faceface with one Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. V(1) is bonded to one Te(2), one Te(4), two equivalent Te(1), and two equivalent Te(3) atoms to form distorted VTe6 octahedra that share corners with six equivalent Ti(1)Te6 octahedra, edges with two equivalent V(1)Te6 octahedra, edges with four equivalent Ti(2)Te6 octahedra, and  a faceface with one Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), and two equivalent V(1) atoms. In the second Te site, Te(2) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one V(1) atom. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Ti(2), two equivalent Ti(1), and two equivalent V(1) atoms. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2VTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   6.990
_cell_angle_alpha   62.503
_cell_angle_beta   62.503
_cell_angle_gamma   30.421
_symmetry_Int_Tables_number   1
_cell_volume   170.027
_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
  Ti  Ti0  1  0.002  0.002  0.997  1.0
  Ti  Ti1  1  0.249  0.249  0.706  1.0
  V  V2  1  0.749  0.749  0.295  1.0
  Te  Te3  1  0.110  0.110  0.545  1.0
  Te  Te4  1  0.891  0.891  0.449  1.0
  Te  Te5  1  0.363  0.363  0.971  1.0
  Te  Te6  1  0.636  0.636  0.037  1.0
[/CIF]
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