The material described by TiRhBi 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 Rh(1) and four equivalent Bi(1) atoms. Rh(1) is bonded to four equivalent Ti(1) and six equivalent Bi(1) atoms to form distorted RhTi4Bi6 tetrahedra that share corners with four equivalent Bi(1)Ti4Rh6 tetrahedra, corners with six equivalent Rh(1)Ti4Bi6 tetrahedra, edges with six equivalent Bi(1)Ti4Rh6 tetrahedra, and faces with twelve equivalent Rh(1)Ti4Bi6 tetrahedra. Bi(1) is bonded to four equivalent Ti(1) and six equivalent Rh(1) atoms to form distorted BiTi4Rh6 tetrahedra that share corners with four equivalent Rh(1)Ti4Bi6 tetrahedra, corners with six equivalent Bi(1)Ti4Rh6 tetrahedra, edges with six equivalent Rh(1)Ti4Bi6 tetrahedra, and faces with twelve equivalent Bi(1)Ti4Rh6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiBiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.490
_cell_length_b   4.490
_cell_length_c   4.490
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   63.985
_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
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Rh  Rh2  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by TiRhBi 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 Rh(1) and four equivalent Bi(1) atoms. Rh(1) is bonded to four equivalent Ti(1) and six equivalent Bi(1) atoms to form distorted RhTi4Bi6 tetrahedra that share corners with four equivalent Bi(1)Ti4Rh6 tetrahedra, corners with six equivalent Rh(1)Ti4Bi6 tetrahedra, edges with six equivalent Bi(1)Ti4Rh6 tetrahedra, and faces with twelve equivalent Rh(1)Ti4Bi6 tetrahedra. Bi(1) is bonded to four equivalent Ti(1) and six equivalent Rh(1) atoms to form distorted BiTi4Rh6 tetrahedra that share corners with four equivalent Rh(1)Ti4Bi6 tetrahedra, corners with six equivalent Bi(1)Ti4Rh6 tetrahedra, edges with six equivalent Rh(1)Ti4Bi6 tetrahedra, and faces with twelve equivalent Bi(1)Ti4Rh6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiBiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.490
_cell_length_b   4.490
_cell_length_c   4.490
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   63.985
_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
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Rh  Rh2  1  0.500  0.500  0.500  1.0
[/CIF]
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