The structure described by Ti2Fe crystallizes in the cubic Fd-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to six equivalent Ti(2) and six equivalent Fe(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent Ti(1), eight equivalent Ti(2), and four equivalent Fe(1) atoms. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Ti(1) and six equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.934
_cell_length_b   7.934
_cell_length_c   7.934
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   353.166
_cell_formula_units_Z   8
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  0.125  0.625  0.625  1.0
  Ti  Ti1  1  0.625  0.125  0.625  1.0
  Ti  Ti2  1  0.625  0.625  0.125  1.0
  Ti  Ti3  1  0.625  0.625  0.625  1.0
  Ti  Ti4  1  0.810  0.810  0.190  1.0
  Ti  Ti5  1  0.190  0.190  0.810  1.0
  Ti  Ti6  1  0.810  0.190  0.810  1.0
  Ti  Ti7  1  0.190  0.810  0.190  1.0
  Ti  Ti8  1  0.190  0.810  0.810  1.0
  Ti  Ti9  1  0.810  0.190  0.190  1.0
  Ti  Ti10  1  0.440  0.440  0.060  1.0
  Ti  Ti11  1  0.060  0.060  0.440  1.0
  Ti  Ti12  1  0.440  0.060  0.440  1.0
  Ti  Ti13  1  0.060  0.440  0.060  1.0
  Ti  Ti14  1  0.060  0.440  0.440  1.0
  Ti  Ti15  1  0.440  0.060  0.060  1.0
  Fe  Fe16  1  0.764  0.412  0.412  1.0
  Fe  Fe17  1  0.412  0.764  0.412  1.0
  Fe  Fe18  1  0.412  0.412  0.764  1.0
  Fe  Fe19  1  0.412  0.412  0.412  1.0
  Fe  Fe20  1  0.486  0.838  0.838  1.0
  Fe  Fe21  1  0.838  0.486  0.838  1.0
  Fe  Fe22  1  0.838  0.838  0.486  1.0
  Fe  Fe23  1  0.838  0.838  0.838  1.0
[/CIF]
.
The structure described by Ti2Fe crystallizes in the cubic Fd-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to six equivalent Ti(2) and six equivalent Fe(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent Ti(1), eight equivalent Ti(2), and four equivalent Fe(1) atoms. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Ti(1) and six equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.934
_cell_length_b   7.934
_cell_length_c   7.934
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   353.166
_cell_formula_units_Z   8
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  0.125  0.625  0.625  1.0
  Ti  Ti1  1  0.625  0.125  0.625  1.0
  Ti  Ti2  1  0.625  0.625  0.125  1.0
  Ti  Ti3  1  0.625  0.625  0.625  1.0
  Ti  Ti4  1  0.810  0.810  0.190  1.0
  Ti  Ti5  1  0.190  0.190  0.810  1.0
  Ti  Ti6  1  0.810  0.190  0.810  1.0
  Ti  Ti7  1  0.190  0.810  0.190  1.0
  Ti  Ti8  1  0.190  0.810  0.810  1.0
  Ti  Ti9  1  0.810  0.190  0.190  1.0
  Ti  Ti10  1  0.440  0.440  0.060  1.0
  Ti  Ti11  1  0.060  0.060  0.440  1.0
  Ti  Ti12  1  0.440  0.060  0.440  1.0
  Ti  Ti13  1  0.060  0.440  0.060  1.0
  Ti  Ti14  1  0.060  0.440  0.440  1.0
  Ti  Ti15  1  0.440  0.060  0.060  1.0
  Fe  Fe16  1  0.764  0.412  0.412  1.0
  Fe  Fe17  1  0.412  0.764  0.412  1.0
  Fe  Fe18  1  0.412  0.412  0.764  1.0
  Fe  Fe19  1  0.412  0.412  0.412  1.0
  Fe  Fe20  1  0.486  0.838  0.838  1.0
  Fe  Fe21  1  0.838  0.486  0.838  1.0
  Fe  Fe22  1  0.838  0.838  0.486  1.0
  Fe  Fe23  1  0.838  0.838  0.838  1.0
[/CIF]
.