The crystal structure described by LiPb3 is alpha Rhenium trioxide structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent Pb(1) and four equivalent Pb(2) atoms to form corner-sharing LiPb6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a linear geometry to two equivalent Li(1) atoms. In the second Pb site, Pb(2) is bonded in a linear geometry to two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.367
_cell_length_b   5.209
_cell_length_c   5.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.010
_symmetry_Int_Tables_number   1
_cell_volume   138.966
_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
  Pb  Pb1  1  0.000  0.000  0.500  1.0
  Pb  Pb2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by LiPb3 is alpha Rhenium trioxide structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent Pb(1) and four equivalent Pb(2) atoms to form corner-sharing LiPb6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a linear geometry to two equivalent Li(1) atoms. In the second Pb site, Pb(2) is bonded in a linear geometry to two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.367
_cell_length_b   5.209
_cell_length_c   5.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.010
_symmetry_Int_Tables_number   1
_cell_volume   138.966
_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
  Pb  Pb1  1  0.000  0.000  0.500  1.0
  Pb  Pb2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.500  0.000  1.0
[/CIF]
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