The crystal structure described by Rb2PuCl6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent Cl(1) and six equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(2)Cl12 cuboctahedra, and faces with four equivalent Pu(1)Cl6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent Cl(1) and six equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(2)Cl12 cuboctahedra, corners with three equivalent Pu(1)Cl6 octahedra, faces with two equivalent Rb(2)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with three equivalent Pu(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 23°. Pu(1) is bonded to three equivalent Cl(1) and three equivalent Cl(2) atoms to form PuCl6 octahedra that share corners with three equivalent Rb(2)Cl12 cuboctahedra, faces with three equivalent Rb(2)Cl12 cuboctahedra, and faces with four equivalent Rb(1)Cl12 cuboctahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Pu(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Pu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2PuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   11.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   557.094
_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
  Rb  Rb0  1  0.333  0.667  0.858  1.0
  Rb  Rb1  1  0.667  0.333  0.358  1.0
  Rb  Rb2  1  1.000  0.000  0.605  1.0
  Rb  Rb3  1  0.000  0.000  0.105  1.0
  Pu  Pu4  1  0.333  0.667  0.240  1.0
  Pu  Pu5  1  0.667  0.333  0.740  1.0
  Cl  Cl6  1  0.161  0.839  0.356  1.0
  Cl  Cl7  1  0.322  0.161  0.856  1.0
  Cl  Cl8  1  0.839  0.678  0.856  1.0
  Cl  Cl9  1  0.161  0.322  0.356  1.0
  Cl  Cl10  1  0.678  0.839  0.356  1.0
  Cl  Cl11  1  0.839  0.161  0.856  1.0
  Cl  Cl12  1  0.498  0.502  0.113  1.0
  Cl  Cl13  1  0.996  0.498  0.613  1.0
  Cl  Cl14  1  0.502  0.004  0.613  1.0
  Cl  Cl15  1  0.498  0.996  0.113  1.0
  Cl  Cl16  1  0.004  0.502  0.113  1.0
  Cl  Cl17  1  0.502  0.498  0.613  1.0
[/CIF]
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The crystal structure described by Rb2PuCl6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent Cl(1) and six equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(2)Cl12 cuboctahedra, and faces with four equivalent Pu(1)Cl6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent Cl(1) and six equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(2)Cl12 cuboctahedra, corners with three equivalent Pu(1)Cl6 octahedra, faces with two equivalent Rb(2)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with three equivalent Pu(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 23°. Pu(1) is bonded to three equivalent Cl(1) and three equivalent Cl(2) atoms to form PuCl6 octahedra that share corners with three equivalent Rb(2)Cl12 cuboctahedra, faces with three equivalent Rb(2)Cl12 cuboctahedra, and faces with four equivalent Rb(1)Cl12 cuboctahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Pu(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Pu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2PuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   11.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   557.094
_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
  Rb  Rb0  1  0.333  0.667  0.858  1.0
  Rb  Rb1  1  0.667  0.333  0.358  1.0
  Rb  Rb2  1  1.000  0.000  0.605  1.0
  Rb  Rb3  1  0.000  0.000  0.105  1.0
  Pu  Pu4  1  0.333  0.667  0.240  1.0
  Pu  Pu5  1  0.667  0.333  0.740  1.0
  Cl  Cl6  1  0.161  0.839  0.356  1.0
  Cl  Cl7  1  0.322  0.161  0.856  1.0
  Cl  Cl8  1  0.839  0.678  0.856  1.0
  Cl  Cl9  1  0.161  0.322  0.356  1.0
  Cl  Cl10  1  0.678  0.839  0.356  1.0
  Cl  Cl11  1  0.839  0.161  0.856  1.0
  Cl  Cl12  1  0.498  0.502  0.113  1.0
  Cl  Cl13  1  0.996  0.498  0.613  1.0
  Cl  Cl14  1  0.502  0.004  0.613  1.0
  Cl  Cl15  1  0.498  0.996  0.113  1.0
  Cl  Cl16  1  0.004  0.502  0.113  1.0
  Cl  Cl17  1  0.502  0.498  0.613  1.0
[/CIF]
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