The material structure described by TiCr2Se4 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form TiSe6 octahedra that share corners with twelve equivalent Cr(1)Se6 octahedra, edges with two equivalent Ti(1)Se6 octahedra, and faces with two equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form CrSe6 octahedra that share corners with six equivalent Ti(1)Se6 octahedra, edges with six equivalent Cr(1)Se6 octahedra, and  a faceface with one Ti(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to two equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing SeTi2Cr3 trigonal bipyramids. In the second Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Ti(1) and three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   6.523
_cell_angle_alpha   62.726
_cell_angle_beta   62.726
_cell_angle_gamma   30.251
_symmetry_Int_Tables_number   1
_cell_volume   140.946
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.739  0.739  0.279  1.0
  Cr  Cr2  1  0.261  0.261  0.721  1.0
  Se  Se3  1  0.876  0.876  0.447  1.0
  Se  Se4  1  0.124  0.124  0.553  1.0
  Se  Se5  1  0.634  0.634  0.027  1.0
  Se  Se6  1  0.366  0.366  0.973  1.0
[/CIF]
.
The material structure described by TiCr2Se4 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form TiSe6 octahedra that share corners with twelve equivalent Cr(1)Se6 octahedra, edges with two equivalent Ti(1)Se6 octahedra, and faces with two equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form CrSe6 octahedra that share corners with six equivalent Ti(1)Se6 octahedra, edges with six equivalent Cr(1)Se6 octahedra, and  a faceface with one Ti(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to two equivalent Ti(1) and three equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing SeTi2Cr3 trigonal bipyramids. In the second Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Ti(1) and three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   6.523
_cell_angle_alpha   62.726
_cell_angle_beta   62.726
_cell_angle_gamma   30.251
_symmetry_Int_Tables_number   1
_cell_volume   140.946
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.739  0.739  0.279  1.0
  Cr  Cr2  1  0.261  0.261  0.721  1.0
  Se  Se3  1  0.876  0.876  0.447  1.0
  Se  Se4  1  0.124  0.124  0.553  1.0
  Se  Se5  1  0.634  0.634  0.027  1.0
  Se  Se6  1  0.366  0.366  0.973  1.0
[/CIF]
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