The compound described by Th5Pb4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 6-coordinate geometry to six equivalent Pb(2) atoms. In the second Th site, Th(2) is bonded to two equivalent Pb(1) and five equivalent Pb(2) atoms to form a mixture of distorted corner, edge, and face-sharing ThPb7 pentagonal bipyramids. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Th(2) atoms to form distorted face-sharing PbTh6 octahedra. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to four equivalent Th(1) and five equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   9.841
_cell_length_c   9.841
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   555.323
_cell_formula_units_Z   2
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
  Th  Th0  1  0.500  0.333  0.667  1.0
  Th  Th1  1  0.500  0.667  0.333  1.0
  Th  Th2  1  0.000  0.667  0.333  1.0
  Th  Th3  1  0.000  0.333  0.667  1.0
  Th  Th4  1  0.750  0.281  0.000  1.0
  Th  Th5  1  0.750  0.719  0.719  1.0
  Th  Th6  1  0.750  0.000  0.281  1.0
  Th  Th7  1  0.250  0.719  0.000  1.0
  Th  Th8  1  0.250  0.281  0.281  1.0
  Th  Th9  1  0.250  1.000  0.719  1.0
  Pb  Pb10  1  0.500  0.000  0.000  1.0
  Pb  Pb11  1  0.000  0.000  0.000  1.0
  Pb  Pb12  1  0.750  0.620  0.000  1.0
  Pb  Pb13  1  0.750  0.380  0.380  1.0
  Pb  Pb14  1  0.750  0.000  0.620  1.0
  Pb  Pb15  1  0.250  0.380  0.000  1.0
  Pb  Pb16  1  0.250  0.620  0.620  1.0
  Pb  Pb17  1  0.250  1.000  0.380  1.0
[/CIF]
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The compound described by Th5Pb4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 6-coordinate geometry to six equivalent Pb(2) atoms. In the second Th site, Th(2) is bonded to two equivalent Pb(1) and five equivalent Pb(2) atoms to form a mixture of distorted corner, edge, and face-sharing ThPb7 pentagonal bipyramids. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Th(2) atoms to form distorted face-sharing PbTh6 octahedra. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to four equivalent Th(1) and five equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   9.841
_cell_length_c   9.841
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   555.323
_cell_formula_units_Z   2
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
  Th  Th0  1  0.500  0.333  0.667  1.0
  Th  Th1  1  0.500  0.667  0.333  1.0
  Th  Th2  1  0.000  0.667  0.333  1.0
  Th  Th3  1  0.000  0.333  0.667  1.0
  Th  Th4  1  0.750  0.281  0.000  1.0
  Th  Th5  1  0.750  0.719  0.719  1.0
  Th  Th6  1  0.750  0.000  0.281  1.0
  Th  Th7  1  0.250  0.719  0.000  1.0
  Th  Th8  1  0.250  0.281  0.281  1.0
  Th  Th9  1  0.250  1.000  0.719  1.0
  Pb  Pb10  1  0.500  0.000  0.000  1.0
  Pb  Pb11  1  0.000  0.000  0.000  1.0
  Pb  Pb12  1  0.750  0.620  0.000  1.0
  Pb  Pb13  1  0.750  0.380  0.380  1.0
  Pb  Pb14  1  0.750  0.000  0.620  1.0
  Pb  Pb15  1  0.250  0.380  0.000  1.0
  Pb  Pb16  1  0.250  0.620  0.620  1.0
  Pb  Pb17  1  0.250  1.000  0.380  1.0
[/CIF]
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