The material structure described by Li3YSb2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Li(2) and four equivalent Sb(1) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(1)Li2Sb6 octahedra, corners with three equivalent Li(1)Li3Sb4 tetrahedra, edges with three equivalent Y(1)Li2Sb6 octahedra, edges with six equivalent Li(1)Li3Sb4 tetrahedra, faces with three equivalent Y(1)Li2Sb6 octahedra, and faces with three equivalent Li(1)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. In the second Li site, Li(2) is bonded in a 14-coordinate geometry to six equivalent Li(1), two equivalent Y(1), and six equivalent Sb(1) atoms. Y(1) is bonded to two equivalent Li(2) and six equivalent Sb(1) atoms to form YLi2Sb6 octahedra that share corners with two equivalent Y(1)Li2Sb6 octahedra, corners with six equivalent Li(1)Li3Sb4 tetrahedra, edges with six equivalent Y(1)Li2Sb6 octahedra, edges with six equivalent Li(1)Li3Sb4 tetrahedra, and faces with six equivalent Li(1)Li3Sb4 tetrahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded in a 10-coordinate geometry to three equivalent Li(2), four equivalent Li(1), and three equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Li3YSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.531
_cell_length_b   4.531
_cell_length_c   7.187
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   127.815
_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  0.333  0.667  0.651  1.0
  Li  Li1  1  0.667  0.333  0.349  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  Sb  Sb4  1  0.333  0.667  0.249  1.0
  Sb  Sb5  1  0.667  0.333  0.751  1.0
[/CIF]
.
The material structure described by Li3YSb2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Li(2) and four equivalent Sb(1) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(1)Li2Sb6 octahedra, corners with three equivalent Li(1)Li3Sb4 tetrahedra, edges with three equivalent Y(1)Li2Sb6 octahedra, edges with six equivalent Li(1)Li3Sb4 tetrahedra, faces with three equivalent Y(1)Li2Sb6 octahedra, and faces with three equivalent Li(1)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. In the second Li site, Li(2) is bonded in a 14-coordinate geometry to six equivalent Li(1), two equivalent Y(1), and six equivalent Sb(1) atoms. Y(1) is bonded to two equivalent Li(2) and six equivalent Sb(1) atoms to form YLi2Sb6 octahedra that share corners with two equivalent Y(1)Li2Sb6 octahedra, corners with six equivalent Li(1)Li3Sb4 tetrahedra, edges with six equivalent Y(1)Li2Sb6 octahedra, edges with six equivalent Li(1)Li3Sb4 tetrahedra, and faces with six equivalent Li(1)Li3Sb4 tetrahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded in a 10-coordinate geometry to three equivalent Li(2), four equivalent Li(1), and three equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Li3YSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.531
_cell_length_b   4.531
_cell_length_c   7.187
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   127.815
_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  0.333  0.667  0.651  1.0
  Li  Li1  1  0.667  0.333  0.349  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  Sb  Sb4  1  0.333  0.667  0.249  1.0
  Sb  Sb5  1  0.667  0.333  0.751  1.0
[/CIF]
.