The material described by Li2Sb crystallizes in the hexagonal P-62c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing LiSb4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to three equivalent Li(2) and six equivalent Li(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Li(2) atoms. is represented by the CIF file [CIF]
data_Li2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.951
_cell_length_b   7.951
_cell_length_c   6.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   359.646
_cell_formula_units_Z   6
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  0.291  0.000  0.000  1.0
  Li  Li1  1  0.709  0.709  0.500  1.0
  Li  Li2  1  0.000  0.291  0.500  1.0
  Li  Li3  1  0.000  0.291  0.000  1.0
  Li  Li4  1  0.709  0.709  0.000  1.0
  Li  Li5  1  0.291  0.000  0.500  1.0
  Li  Li6  1  0.637  0.010  0.250  1.0
  Li  Li7  1  0.373  0.363  0.250  1.0
  Li  Li8  1  0.990  0.627  0.250  1.0
  Li  Li9  1  0.627  0.990  0.750  1.0
  Li  Li10  1  0.363  0.373  0.750  1.0
  Li  Li11  1  0.010  0.637  0.750  1.0
  Sb  Sb12  1  0.000  0.000  0.250  1.0
  Sb  Sb13  1  0.000  0.000  0.750  1.0
  Sb  Sb14  1  0.333  0.667  0.024  1.0
  Sb  Sb15  1  0.333  0.667  0.476  1.0
  Sb  Sb16  1  0.667  0.333  0.976  1.0
  Sb  Sb17  1  0.667  0.333  0.524  1.0
[/CIF]
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The material described by Li2Sb crystallizes in the hexagonal P-62c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing LiSb4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to three equivalent Li(2) and six equivalent Li(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Li(1) and six equivalent Li(2) atoms. is represented by the CIF file [CIF]
data_Li2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.951
_cell_length_b   7.951
_cell_length_c   6.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   359.646
_cell_formula_units_Z   6
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  0.291  0.000  0.000  1.0
  Li  Li1  1  0.709  0.709  0.500  1.0
  Li  Li2  1  0.000  0.291  0.500  1.0
  Li  Li3  1  0.000  0.291  0.000  1.0
  Li  Li4  1  0.709  0.709  0.000  1.0
  Li  Li5  1  0.291  0.000  0.500  1.0
  Li  Li6  1  0.637  0.010  0.250  1.0
  Li  Li7  1  0.373  0.363  0.250  1.0
  Li  Li8  1  0.990  0.627  0.250  1.0
  Li  Li9  1  0.627  0.990  0.750  1.0
  Li  Li10  1  0.363  0.373  0.750  1.0
  Li  Li11  1  0.010  0.637  0.750  1.0
  Sb  Sb12  1  0.000  0.000  0.250  1.0
  Sb  Sb13  1  0.000  0.000  0.750  1.0
  Sb  Sb14  1  0.333  0.667  0.024  1.0
  Sb  Sb15  1  0.333  0.667  0.476  1.0
  Sb  Sb16  1  0.667  0.333  0.976  1.0
  Sb  Sb17  1  0.667  0.333  0.524  1.0
[/CIF]
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