The material structure described by Ti2CrTe4 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 Cr(1)Te6 octahedra, edges with two equivalent Ti(1)Te6 octahedra,  a faceface with one Ti(2)Te6 octahedra, and  a faceface with one Cr(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Ti site, Ti(2) is bonded to one Te(2), one Te(4), two equivalent Te(1), and two equivalent Te(3) 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 Cr(1)Te6 octahedra, and  a faceface with one Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. Cr(1) is bonded to one Te(1), one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms to form distorted CrTe6 octahedra that share corners with six equivalent Ti(1)Te6 octahedra, edges with two equivalent Cr(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 49-54°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Cr(1) atom. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Cr(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and one Cr(1) atom. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to one Ti(2), two equivalent Ti(1), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ti2CrTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   7.352
_cell_length_c   7.088
_cell_angle_alpha   61.999
_cell_angle_beta   61.999
_cell_angle_gamma   31.135
_symmetry_Int_Tables_number   1
_cell_volume   172.986
_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  0.004  0.004  0.997  1.0
  Ti  Ti1  1  0.246  0.246  0.723  1.0
  Cr  Cr2  1  0.747  0.747  0.283  1.0
  Te  Te3  1  0.885  0.885  0.449  1.0
  Te  Te4  1  0.113  0.113  0.546  1.0
  Te  Te5  1  0.635  0.635  0.039  1.0
  Te  Te6  1  0.370  0.370  0.963  1.0
[/CIF]
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The material structure described by Ti2CrTe4 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 Cr(1)Te6 octahedra, edges with two equivalent Ti(1)Te6 octahedra,  a faceface with one Ti(2)Te6 octahedra, and  a faceface with one Cr(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Ti site, Ti(2) is bonded to one Te(2), one Te(4), two equivalent Te(1), and two equivalent Te(3) 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 Cr(1)Te6 octahedra, and  a faceface with one Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. Cr(1) is bonded to one Te(1), one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms to form distorted CrTe6 octahedra that share corners with six equivalent Ti(1)Te6 octahedra, edges with two equivalent Cr(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 49-54°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Cr(1) atom. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Cr(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and one Cr(1) atom. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to one Ti(2), two equivalent Ti(1), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ti2CrTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   7.352
_cell_length_c   7.088
_cell_angle_alpha   61.999
_cell_angle_beta   61.999
_cell_angle_gamma   31.135
_symmetry_Int_Tables_number   1
_cell_volume   172.986
_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  0.004  0.004  0.997  1.0
  Ti  Ti1  1  0.246  0.246  0.723  1.0
  Cr  Cr2  1  0.747  0.747  0.283  1.0
  Te  Te3  1  0.885  0.885  0.449  1.0
  Te  Te4  1  0.113  0.113  0.546  1.0
  Te  Te5  1  0.635  0.635  0.039  1.0
  Te  Te6  1  0.370  0.370  0.963  1.0
[/CIF]
.