The structure described by Ti5FeSb2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to eight equivalent Ti(1) and two equivalent Fe(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti5FeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   7.826
_cell_angle_alpha   96.200
_cell_angle_beta   96.200
_cell_angle_gamma   141.629
_symmetry_Int_Tables_number   1
_cell_volume   280.989
_cell_formula_units_Z   2
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  0.569  0.699  0.268  1.0
  Ti  Ti1  1  0.431  0.301  0.732  1.0
  Ti  Ti2  1  0.750  0.250  0.500  1.0
  Ti  Ti3  1  0.250  0.750  0.500  1.0
  Ti  Ti4  1  0.699  0.431  0.130  1.0
  Ti  Ti5  1  0.301  0.569  0.870  1.0
  Ti  Ti6  1  0.931  0.199  0.130  1.0
  Ti  Ti7  1  0.199  0.069  0.268  1.0
  Ti  Ti8  1  0.069  0.801  0.870  1.0
  Ti  Ti9  1  0.801  0.931  0.732  1.0
  Fe  Fe10  1  0.750  0.750  0.000  1.0
  Fe  Fe11  1  0.250  0.250  0.000  1.0
  Sb  Sb12  1  0.336  0.836  0.172  1.0
  Sb  Sb13  1  0.164  0.336  0.500  1.0
  Sb  Sb14  1  0.664  0.164  0.828  1.0
  Sb  Sb15  1  0.836  0.664  0.500  1.0
[/CIF]
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The structure described by Ti5FeSb2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to eight equivalent Ti(1) and two equivalent Fe(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti5FeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   7.826
_cell_angle_alpha   96.200
_cell_angle_beta   96.200
_cell_angle_gamma   141.629
_symmetry_Int_Tables_number   1
_cell_volume   280.989
_cell_formula_units_Z   2
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  0.569  0.699  0.268  1.0
  Ti  Ti1  1  0.431  0.301  0.732  1.0
  Ti  Ti2  1  0.750  0.250  0.500  1.0
  Ti  Ti3  1  0.250  0.750  0.500  1.0
  Ti  Ti4  1  0.699  0.431  0.130  1.0
  Ti  Ti5  1  0.301  0.569  0.870  1.0
  Ti  Ti6  1  0.931  0.199  0.130  1.0
  Ti  Ti7  1  0.199  0.069  0.268  1.0
  Ti  Ti8  1  0.069  0.801  0.870  1.0
  Ti  Ti9  1  0.801  0.931  0.732  1.0
  Fe  Fe10  1  0.750  0.750  0.000  1.0
  Fe  Fe11  1  0.250  0.250  0.000  1.0
  Sb  Sb12  1  0.336  0.836  0.172  1.0
  Sb  Sb13  1  0.164  0.336  0.500  1.0
  Sb  Sb14  1  0.664  0.164  0.828  1.0
  Sb  Sb15  1  0.836  0.664  0.500  1.0
[/CIF]
.