The structure described by ThLaPb6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(3) atoms to form ThPb12 cuboctahedra that share corners with four equivalent Th(1)Pb12 cuboctahedra, corners with eight equivalent La(1)Pb12 cuboctahedra, faces with two equivalent La(1)Pb12 cuboctahedra, and faces with four equivalent Th(1)Pb12 cuboctahedra. La(1) is bonded to four equivalent Pb(1) and eight equivalent Pb(3) atoms to form LaPb12 cuboctahedra that share corners with four equivalent La(1)Pb12 cuboctahedra, corners with eight equivalent Th(1)Pb12 cuboctahedra, faces with two equivalent Th(1)Pb12 cuboctahedra, and faces with four equivalent La(1)Pb12 cuboctahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a square co-planar geometry to four equivalent La(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted square co-planar geometry to four equivalent Th(1) atoms. In the third Pb site, Pb(3) is bonded in a distorted square co-planar geometry to two equivalent Th(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LaThPb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.893
_cell_length_b   4.893
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.895
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.000  0.000  0.500  1.0
  Pb  Pb2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.500  0.000  0.252  1.0
  Pb  Pb5  1  0.500  0.000  0.748  1.0
  Pb  Pb6  1  0.000  0.500  0.252  1.0
  Pb  Pb7  1  0.000  0.500  0.748  1.0
[/CIF]
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The structure described by ThLaPb6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(3) atoms to form ThPb12 cuboctahedra that share corners with four equivalent Th(1)Pb12 cuboctahedra, corners with eight equivalent La(1)Pb12 cuboctahedra, faces with two equivalent La(1)Pb12 cuboctahedra, and faces with four equivalent Th(1)Pb12 cuboctahedra. La(1) is bonded to four equivalent Pb(1) and eight equivalent Pb(3) atoms to form LaPb12 cuboctahedra that share corners with four equivalent La(1)Pb12 cuboctahedra, corners with eight equivalent Th(1)Pb12 cuboctahedra, faces with two equivalent Th(1)Pb12 cuboctahedra, and faces with four equivalent La(1)Pb12 cuboctahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a square co-planar geometry to four equivalent La(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted square co-planar geometry to four equivalent Th(1) atoms. In the third Pb site, Pb(3) is bonded in a distorted square co-planar geometry to two equivalent Th(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LaThPb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.893
_cell_length_b   4.893
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.895
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.000  0.000  0.500  1.0
  Pb  Pb2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.500  0.000  0.252  1.0
  Pb  Pb5  1  0.500  0.000  0.748  1.0
  Pb  Pb6  1  0.000  0.500  0.252  1.0
  Pb  Pb7  1  0.000  0.500  0.748  1.0
[/CIF]
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