The compound described by Pu3Th is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to eight equivalent Pu(1) and four equivalent Th(1) atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent Th(1)Pu12 cuboctahedra; corners with fourteen equivalent Pu(1)Pu8Th4 cuboctahedra; edges with six equivalent Th(1)Pu12 cuboctahedra; edges with twelve equivalent Pu(1)Pu8Th4 cuboctahedra; faces with four equivalent Th(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1)Pu8Th4 cuboctahedra. In the second Pu site, Pu(1) is bonded to eight equivalent Pu(1) and four equivalent Th(1) atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent Th(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1)Pu8Th4 cuboctahedra; edges with six equivalent Th(1)Pu12 cuboctahedra; edges with twelve equivalent Pu(1)Pu8Th4 cuboctahedra; faces with four equivalent Th(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1)Pu8Th4 cuboctahedra. Th(1) is bonded to twelve Pu(1,1) atoms to form ThPu12 cuboctahedra that share corners with six equivalent Th(1)Pu12 cuboctahedra; corners with twelve Pu(1,1)Pu8Th4 cuboctahedra; edges with eighteen Pu(1,1)Pu8Th4 cuboctahedra; faces with eight equivalent Th(1)Pu12 cuboctahedra; and faces with twelve Pu(1,1)Pu8Th4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   6.896
_cell_length_c   5.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   224.010
_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
  Pu  Pu0  1  0.164  0.327  0.250  1.0
  Pu  Pu1  1  0.673  0.836  0.250  1.0
  Pu  Pu2  1  0.164  0.836  0.250  1.0
  Pu  Pu3  1  0.836  0.673  0.750  1.0
  Pu  Pu4  1  0.327  0.164  0.750  1.0
  Pu  Pu5  1  0.836  0.164  0.750  1.0
  Th  Th6  1  0.333  0.667  0.750  1.0
  Th  Th7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Pu3Th is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to eight equivalent Pu(1) and four equivalent Th(1) atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent Th(1)Pu12 cuboctahedra; corners with fourteen equivalent Pu(1)Pu8Th4 cuboctahedra; edges with six equivalent Th(1)Pu12 cuboctahedra; edges with twelve equivalent Pu(1)Pu8Th4 cuboctahedra; faces with four equivalent Th(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1)Pu8Th4 cuboctahedra. In the second Pu site, Pu(1) is bonded to eight equivalent Pu(1) and four equivalent Th(1) atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent Th(1)Pu12 cuboctahedra; corners with fourteen Pu(1,1)Pu8Th4 cuboctahedra; edges with six equivalent Th(1)Pu12 cuboctahedra; edges with twelve equivalent Pu(1)Pu8Th4 cuboctahedra; faces with four equivalent Th(1)Pu12 cuboctahedra; and faces with sixteen Pu(1,1)Pu8Th4 cuboctahedra. Th(1) is bonded to twelve Pu(1,1) atoms to form ThPu12 cuboctahedra that share corners with six equivalent Th(1)Pu12 cuboctahedra; corners with twelve Pu(1,1)Pu8Th4 cuboctahedra; edges with eighteen Pu(1,1)Pu8Th4 cuboctahedra; faces with eight equivalent Th(1)Pu12 cuboctahedra; and faces with twelve Pu(1,1)Pu8Th4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   6.896
_cell_length_c   5.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   224.010
_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
  Pu  Pu0  1  0.164  0.327  0.250  1.0
  Pu  Pu1  1  0.673  0.836  0.250  1.0
  Pu  Pu2  1  0.164  0.836  0.250  1.0
  Pu  Pu3  1  0.836  0.673  0.750  1.0
  Pu  Pu4  1  0.327  0.164  0.750  1.0
  Pu  Pu5  1  0.836  0.164  0.750  1.0
  Th  Th6  1  0.333  0.667  0.750  1.0
  Th  Th7  1  0.667  0.333  0.250  1.0
[/CIF]
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