The material described by FeTiSn 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 Fe(1) and four equivalent Sn(1) atoms. Fe(1) is bonded to four equivalent Ti(1) and six equivalent Sn(1) atoms to form distorted FeTi4Sn6 tetrahedra that share corners with four equivalent Sn(1)Ti4Fe6 tetrahedra, corners with six equivalent Fe(1)Ti4Sn6 tetrahedra, edges with six equivalent Sn(1)Ti4Fe6 tetrahedra, and faces with twelve equivalent Fe(1)Ti4Sn6 tetrahedra. Sn(1) is bonded to four equivalent Ti(1) and six equivalent Fe(1) atoms to form distorted SnTi4Fe6 tetrahedra that share corners with four equivalent Fe(1)Ti4Sn6 tetrahedra, corners with six equivalent Sn(1)Ti4Fe6 tetrahedra, edges with six equivalent Fe(1)Ti4Sn6 tetrahedra, and faces with twelve equivalent Sn(1)Ti4Fe6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.402
_cell_length_b   4.402
_cell_length_c   4.402
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   60.299
_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  0.750  0.750  0.750  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by FeTiSn 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 Fe(1) and four equivalent Sn(1) atoms. Fe(1) is bonded to four equivalent Ti(1) and six equivalent Sn(1) atoms to form distorted FeTi4Sn6 tetrahedra that share corners with four equivalent Sn(1)Ti4Fe6 tetrahedra, corners with six equivalent Fe(1)Ti4Sn6 tetrahedra, edges with six equivalent Sn(1)Ti4Fe6 tetrahedra, and faces with twelve equivalent Fe(1)Ti4Sn6 tetrahedra. Sn(1) is bonded to four equivalent Ti(1) and six equivalent Fe(1) atoms to form distorted SnTi4Fe6 tetrahedra that share corners with four equivalent Fe(1)Ti4Sn6 tetrahedra, corners with six equivalent Sn(1)Ti4Fe6 tetrahedra, edges with six equivalent Fe(1)Ti4Sn6 tetrahedra, and faces with twelve equivalent Sn(1)Ti4Fe6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.402
_cell_length_b   4.402
_cell_length_c   4.402
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   60.299
_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  0.750  0.750  0.750  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
[/CIF]
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