The crystal structure described by Tb3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Pb(1) atoms to form distorted TbTb8Pb4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Pb4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Tb12 cuboctahedra, faces with four equivalent Pb(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Pb4 cuboctahedra. In the second Tb site, Tb(2) is bonded in a square co-planar geometry to eight equivalent Tb(1) and four equivalent Pb(1) atoms. Pb(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form PbTb12 cuboctahedra that share corners with four equivalent Pb(1)Tb12 cuboctahedra, edges with eight equivalent Pb(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Pb4 cuboctahedra, faces with four equivalent Pb(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Pb4 cuboctahedra. is represented by the CIF card [CIF]
data_Tb3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   6.225
_cell_angle_alpha   135.259
_cell_angle_beta   135.259
_cell_angle_gamma   65.128
_symmetry_Int_Tables_number   1
_cell_volume   117.812
_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
  Tb  Tb0  1  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  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 crystal structure described by Tb3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Pb(1) atoms to form distorted TbTb8Pb4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Pb4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Tb12 cuboctahedra, faces with four equivalent Pb(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Pb4 cuboctahedra. In the second Tb site, Tb(2) is bonded in a square co-planar geometry to eight equivalent Tb(1) and four equivalent Pb(1) atoms. Pb(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form PbTb12 cuboctahedra that share corners with four equivalent Pb(1)Tb12 cuboctahedra, edges with eight equivalent Pb(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Pb4 cuboctahedra, faces with four equivalent Pb(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Pb4 cuboctahedra. is represented by the CIF card [CIF]
data_Tb3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   6.225
_cell_angle_alpha   135.259
_cell_angle_beta   135.259
_cell_angle_gamma   65.128
_symmetry_Int_Tables_number   1
_cell_volume   117.812
_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
  Tb  Tb0  1  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  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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