The structure described by Zr3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Pb(1) atoms to form distorted ZrZr8Pb4 cuboctahedra that share corners with twelve equivalent Zr(1)Zr8Pb4 cuboctahedra, edges with eight equivalent Zr(1)Zr8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Zr12 cuboctahedra, faces with four equivalent Pb(1)Zr12 cuboctahedra, and faces with ten equivalent Zr(1)Zr8Pb4 cuboctahedra. In the second Zr site, Zr(2) is bonded in a square co-planar geometry to eight equivalent Zr(1) and four equivalent Pb(1) atoms. Pb(1) is bonded to four equivalent Zr(2) and eight equivalent Zr(1) atoms to form PbZr12 cuboctahedra that share corners with four equivalent Pb(1)Zr12 cuboctahedra, edges with eight equivalent Pb(1)Zr12 cuboctahedra, edges with sixteen equivalent Zr(1)Zr8Pb4 cuboctahedra, faces with four equivalent Pb(1)Zr12 cuboctahedra, and faces with eight equivalent Zr(1)Zr8Pb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.731
_cell_length_b   5.731
_cell_length_c   5.731
_cell_angle_alpha   135.017
_cell_angle_beta   135.017
_cell_angle_gamma   65.504
_symmetry_Int_Tables_number   1
_cell_volume   92.652
_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
  Zr  Zr0  1  0.750  0.250  0.500  1.0
  Zr  Zr1  1  0.250  0.750  0.500  1.0
  Zr  Zr2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Zr3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Pb(1) atoms to form distorted ZrZr8Pb4 cuboctahedra that share corners with twelve equivalent Zr(1)Zr8Pb4 cuboctahedra, edges with eight equivalent Zr(1)Zr8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Zr12 cuboctahedra, faces with four equivalent Pb(1)Zr12 cuboctahedra, and faces with ten equivalent Zr(1)Zr8Pb4 cuboctahedra. In the second Zr site, Zr(2) is bonded in a square co-planar geometry to eight equivalent Zr(1) and four equivalent Pb(1) atoms. Pb(1) is bonded to four equivalent Zr(2) and eight equivalent Zr(1) atoms to form PbZr12 cuboctahedra that share corners with four equivalent Pb(1)Zr12 cuboctahedra, edges with eight equivalent Pb(1)Zr12 cuboctahedra, edges with sixteen equivalent Zr(1)Zr8Pb4 cuboctahedra, faces with four equivalent Pb(1)Zr12 cuboctahedra, and faces with eight equivalent Zr(1)Zr8Pb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.731
_cell_length_b   5.731
_cell_length_c   5.731
_cell_angle_alpha   135.017
_cell_angle_beta   135.017
_cell_angle_gamma   65.504
_symmetry_Int_Tables_number   1
_cell_volume   92.652
_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
  Zr  Zr0  1  0.750  0.250  0.500  1.0
  Zr  Zr1  1  0.250  0.750  0.500  1.0
  Zr  Zr2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
[/CIF]
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