data_TiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.3
_cell_length_c   2.64
_cell_angle_alpha   82.51
_cell_angle_beta   73.79
_cell_angle_gamma   23.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2
_chemical_formula_sum   'Ti1 Cr2'
_cell_volume   39.43
_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  Ti2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.47  0.19  0.28  1.0
  Cr  Cr1  1  0.47  0.19  0.96  1.0

data_TiCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.3
_cell_angle_alpha   97.49
_cell_angle_beta   97.49
_cell_angle_gamma   112.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2
_chemical_formula_sum   'Ti1 Cr2'
_cell_volume   39.43
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.47  0.04  0.66  1.0
  Cr  Cr2  1  0.47  0.72  0.66  1.0

Ti Cr Cr
Ti Cr Cr 0 1 o - o 0 1 - o o 0 2 o - - 0 2 - o - 0 2 - o o 0 0 + - o 0 0 + - - 0 0 o o + 1 2 o o - 
TiCr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiCr2 cluster. Ti(1) is bonded in a 1-coordinate geometry to one Cr(1) atom. The Ti(1)-Cr(1) bond length is 2.26 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 0.84 Å. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Cr(1) atom.