The material described by Ti2VTe4 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form distorted TiTe6 octahedra that share corners with six equivalent V(1)Te6 octahedra, edges with six equivalent Ti(1)Te6 octahedra, and  a faceface with one V(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. V(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form VTe6 octahedra that share corners with twelve equivalent Ti(1)Te6 octahedra, edges with two equivalent V(1)Te6 octahedra, and faces with two equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 5-coordinate geometry to three equivalent Ti(1) and two equivalent V(1) atoms. In the second Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ti(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Ti2VTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.922
_cell_length_b   6.933
_cell_length_c   7.523
_cell_angle_alpha   116.536
_cell_angle_beta   105.111
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.106
_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  0.252  0.296  0.504  1.0
  Ti  Ti1  1  0.748  0.704  0.496  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.111  0.452  0.221  1.0
  Te  Te4  1  0.889  0.548  0.779  1.0
  Te  Te5  1  0.365  0.028  0.730  1.0
  Te  Te6  1  0.635  0.972  0.270  1.0
[/CIF]
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The material described by Ti2VTe4 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form distorted TiTe6 octahedra that share corners with six equivalent V(1)Te6 octahedra, edges with six equivalent Ti(1)Te6 octahedra, and  a faceface with one V(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. V(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form VTe6 octahedra that share corners with twelve equivalent Ti(1)Te6 octahedra, edges with two equivalent V(1)Te6 octahedra, and faces with two equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 5-coordinate geometry to three equivalent Ti(1) and two equivalent V(1) atoms. In the second Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ti(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Ti2VTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.922
_cell_length_b   6.933
_cell_length_c   7.523
_cell_angle_alpha   116.536
_cell_angle_beta   105.111
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.106
_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  0.252  0.296  0.504  1.0
  Ti  Ti1  1  0.748  0.704  0.496  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.111  0.452  0.221  1.0
  Te  Te4  1  0.889  0.548  0.779  1.0
  Te  Te5  1  0.365  0.028  0.730  1.0
  Te  Te6  1  0.635  0.972  0.270  1.0
[/CIF]
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