The crystal structure described by TaFeSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Ta(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1) and four equivalent Sb(1) atoms. Fe(1) is bonded to four equivalent Ta(1) and six equivalent Sb(1) atoms to form distorted FeTa4Sb6 tetrahedra that share corners with four equivalent Sb(1)Ta4Fe6 tetrahedra, corners with six equivalent Fe(1)Ta4Sb6 tetrahedra, edges with six equivalent Sb(1)Ta4Fe6 tetrahedra, and faces with twelve equivalent Fe(1)Ta4Sb6 tetrahedra. Sb(1) is bonded to four equivalent Ta(1) and six equivalent Fe(1) atoms to form distorted SbTa4Fe6 tetrahedra that share corners with four equivalent Fe(1)Ta4Sb6 tetrahedra, corners with six equivalent Sb(1)Ta4Fe6 tetrahedra, edges with six equivalent Fe(1)Ta4Sb6 tetrahedra, and faces with twelve equivalent Sb(1)Ta4Fe6 tetrahedra. is represented by the CIF file [CIF]
data_TaFeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.372
_cell_length_b   4.372
_cell_length_c   4.372
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   59.092
_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
  Ta  Ta0  1  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by TaFeSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Ta(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1) and four equivalent Sb(1) atoms. Fe(1) is bonded to four equivalent Ta(1) and six equivalent Sb(1) atoms to form distorted FeTa4Sb6 tetrahedra that share corners with four equivalent Sb(1)Ta4Fe6 tetrahedra, corners with six equivalent Fe(1)Ta4Sb6 tetrahedra, edges with six equivalent Sb(1)Ta4Fe6 tetrahedra, and faces with twelve equivalent Fe(1)Ta4Sb6 tetrahedra. Sb(1) is bonded to four equivalent Ta(1) and six equivalent Fe(1) atoms to form distorted SbTa4Fe6 tetrahedra that share corners with four equivalent Fe(1)Ta4Sb6 tetrahedra, corners with six equivalent Sb(1)Ta4Fe6 tetrahedra, edges with six equivalent Fe(1)Ta4Sb6 tetrahedra, and faces with twelve equivalent Sb(1)Ta4Fe6 tetrahedra. is represented by the CIF file [CIF]
data_TaFeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.372
_cell_length_b   4.372
_cell_length_c   4.372
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   59.092
_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
  Ta  Ta0  1  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.500  0.500  0.500  1.0
[/CIF]
.