The crystal structure described by Li2AgBi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Bi(1) atoms to form distorted LiBi4 tetrahedra that share corners with twelve equivalent Li(2)Ag4Bi6 tetrahedra, corners with twelve equivalent Li(1)Bi4 tetrahedra, and faces with four equivalent Li(2)Ag4Bi6 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Ag(1) and six equivalent Bi(1) atoms to form distorted LiAg4Bi6 tetrahedra that share corners with six equivalent Li(2)Ag4Bi6 tetrahedra, corners with twelve equivalent Li(1)Bi4 tetrahedra, faces with four equivalent Li(1)Bi4 tetrahedra, and faces with twelve equivalent Li(2)Ag4Bi6 tetrahedra. Ag(1) is bonded in a 8-coordinate geometry to four equivalent Li(2) and four equivalent Bi(1) atoms. Bi(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.799
_cell_length_b   4.799
_cell_length_c   4.799
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.132
_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  0.250  0.250  0.250  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ag  Ag2  1  0.750  0.750  0.750  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Li2AgBi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Bi(1) atoms to form distorted LiBi4 tetrahedra that share corners with twelve equivalent Li(2)Ag4Bi6 tetrahedra, corners with twelve equivalent Li(1)Bi4 tetrahedra, and faces with four equivalent Li(2)Ag4Bi6 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Ag(1) and six equivalent Bi(1) atoms to form distorted LiAg4Bi6 tetrahedra that share corners with six equivalent Li(2)Ag4Bi6 tetrahedra, corners with twelve equivalent Li(1)Bi4 tetrahedra, faces with four equivalent Li(1)Bi4 tetrahedra, and faces with twelve equivalent Li(2)Ag4Bi6 tetrahedra. Ag(1) is bonded in a 8-coordinate geometry to four equivalent Li(2) and four equivalent Bi(1) atoms. Bi(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.799
_cell_length_b   4.799
_cell_length_c   4.799
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.132
_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  0.250  0.250  0.250  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ag  Ag2  1  0.750  0.750  0.750  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
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