The material structure described by LiVBi is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent V(1) and four equivalent Bi(1) atoms. V(1) is bonded to four equivalent Li(1) and six equivalent Bi(1) atoms to form distorted VLi4Bi6 tetrahedra that share corners with four equivalent Bi(1)Li4V6 tetrahedra, corners with six equivalent V(1)Li4Bi6 tetrahedra, edges with six equivalent Bi(1)Li4V6 tetrahedra, and faces with twelve equivalent V(1)Li4Bi6 tetrahedra. Bi(1) is bonded to four equivalent Li(1) and six equivalent V(1) atoms to form distorted BiLi4V6 tetrahedra that share corners with four equivalent V(1)Li4Bi6 tetrahedra, corners with six equivalent Bi(1)Li4V6 tetrahedra, edges with six equivalent V(1)Li4Bi6 tetrahedra, and faces with twelve equivalent Bi(1)Li4V6 tetrahedra. is represented by the CIF card [CIF]
data_LiVBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.436
_cell_length_b   4.436
_cell_length_c   4.436
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.709
_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
  Li  Li0  1  0.750  0.750  0.750  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by LiVBi is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent V(1) and four equivalent Bi(1) atoms. V(1) is bonded to four equivalent Li(1) and six equivalent Bi(1) atoms to form distorted VLi4Bi6 tetrahedra that share corners with four equivalent Bi(1)Li4V6 tetrahedra, corners with six equivalent V(1)Li4Bi6 tetrahedra, edges with six equivalent Bi(1)Li4V6 tetrahedra, and faces with twelve equivalent V(1)Li4Bi6 tetrahedra. Bi(1) is bonded to four equivalent Li(1) and six equivalent V(1) atoms to form distorted BiLi4V6 tetrahedra that share corners with four equivalent V(1)Li4Bi6 tetrahedra, corners with six equivalent Bi(1)Li4V6 tetrahedra, edges with six equivalent V(1)Li4Bi6 tetrahedra, and faces with twelve equivalent Bi(1)Li4V6 tetrahedra. is represented by the CIF card [CIF]
data_LiVBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.436
_cell_length_b   4.436
_cell_length_c   4.436
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.709
_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
  Li  Li0  1  0.750  0.750  0.750  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
[/CIF]
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