The material described by NiTiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Ti(1) is bonded in a body-centered cubic geometry to four equivalent Ni(1) and four equivalent Sb(1) atoms. Ni(1) is bonded to four equivalent Ti(1) atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent Sb(1)Ti4 tetrahedra, corners with twelve equivalent Ni(1)Ti4 tetrahedra, and edges with six equivalent Sb(1)Ti4 tetrahedra. Sb(1) is bonded to four equivalent Ti(1) atoms to form distorted SbTi4 tetrahedra that share corners with four equivalent Ni(1)Ti4 tetrahedra, corners with twelve equivalent Sb(1)Ti4 tetrahedra, and edges with six equivalent Ni(1)Ti4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   4.366
_cell_length_c   4.366
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   58.851
_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  0.250  0.250  0.250  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by NiTiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Ti(1) is bonded in a body-centered cubic geometry to four equivalent Ni(1) and four equivalent Sb(1) atoms. Ni(1) is bonded to four equivalent Ti(1) atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent Sb(1)Ti4 tetrahedra, corners with twelve equivalent Ni(1)Ti4 tetrahedra, and edges with six equivalent Sb(1)Ti4 tetrahedra. Sb(1) is bonded to four equivalent Ti(1) atoms to form distorted SbTi4 tetrahedra that share corners with four equivalent Ni(1)Ti4 tetrahedra, corners with twelve equivalent Sb(1)Ti4 tetrahedra, and edges with six equivalent Ni(1)Ti4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   4.366
_cell_length_c   4.366
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   58.851
_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  0.250  0.250  0.250  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.500  0.500  0.500  1.0
[/CIF]
.