The compound described by Li7Pb2 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to two equivalent Li(2), six equivalent Li(4), and six equivalent Pb(1) atoms. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and three equivalent Pb(1) atoms. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to four equivalent Pb(1) atoms. In the fourth Li site, Li(4) is bonded to three equivalent Li(1) and four equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing LiLi3Pb4 tetrahedra. Pb(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), three equivalent Li(2), four equivalent Li(3), and four equivalent Li(4) atoms. is represented by the CIF file [CIF]
data_Li7Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.707
_cell_length_b   4.707
_cell_length_c   8.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.616
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.321  1.0
  Li  Li2  1  0.000  0.000  0.679  1.0
  Li  Li3  1  0.333  0.667  0.577  1.0
  Li  Li4  1  0.667  0.333  0.423  1.0
  Li  Li5  1  0.333  0.667  0.898  1.0
  Li  Li6  1  0.667  0.333  0.102  1.0
  Pb  Pb7  1  0.333  0.667  0.237  1.0
  Pb  Pb8  1  0.667  0.333  0.763  1.0
[/CIF]
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The compound described by Li7Pb2 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to two equivalent Li(2), six equivalent Li(4), and six equivalent Pb(1) atoms. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and three equivalent Pb(1) atoms. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to four equivalent Pb(1) atoms. In the fourth Li site, Li(4) is bonded to three equivalent Li(1) and four equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing LiLi3Pb4 tetrahedra. Pb(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), three equivalent Li(2), four equivalent Li(3), and four equivalent Li(4) atoms. is represented by the CIF file [CIF]
data_Li7Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.707
_cell_length_b   4.707
_cell_length_c   8.528
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.616
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.321  1.0
  Li  Li2  1  0.000  0.000  0.679  1.0
  Li  Li3  1  0.333  0.667  0.577  1.0
  Li  Li4  1  0.667  0.333  0.423  1.0
  Li  Li5  1  0.333  0.667  0.898  1.0
  Li  Li6  1  0.667  0.333  0.102  1.0
  Pb  Pb7  1  0.333  0.667  0.237  1.0
  Pb  Pb8  1  0.667  0.333  0.763  1.0
[/CIF]
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