The material structure described by MgPb3 crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Pb(2) atoms. In the second Pb site, Pb(2) is bonded to six equivalent Pb(1) and six equivalent Pb(2) atoms to form a mixture of corner, edge, and face-sharing PbPb12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.579
_cell_length_b   3.579
_cell_length_c   10.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.500
_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
  Mg  Mg0  1  0.333  0.667  0.500  1.0
  Pb  Pb1  1  0.667  0.333  0.730  1.0
  Pb  Pb2  1  0.333  0.667  0.000  1.0
  Pb  Pb3  1  0.667  0.333  0.270  1.0
[/CIF]
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The material structure described by MgPb3 crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Pb(2) atoms. In the second Pb site, Pb(2) is bonded to six equivalent Pb(1) and six equivalent Pb(2) atoms to form a mixture of corner, edge, and face-sharing PbPb12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.579
_cell_length_b   3.579
_cell_length_c   10.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.500
_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
  Mg  Mg0  1  0.333  0.667  0.500  1.0
  Pb  Pb1  1  0.667  0.333  0.730  1.0
  Pb  Pb2  1  0.333  0.667  0.000  1.0
  Pb  Pb3  1  0.667  0.333  0.270  1.0
[/CIF]
.