The compound described by PuRe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. Pu(1) is bonded in a 13-coordinate geometry to one Pu(1), three equivalent Re(1), three equivalent Re(3), and six equivalent Re(2) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Pu(1), two equivalent Re(3), and four equivalent Re(2) atoms to form a mixture of edge, corner, and face-sharing RePu6Re6 cuboctahedra. In the second Re site, Re(2) is bonded to six equivalent Pu(1), two equivalent Re(1), two equivalent Re(2), and two equivalent Re(3) atoms to form a mixture of distorted edge, corner, and face-sharing RePu6Re6 cuboctahedra. In the third Re site, Re(3) is bonded to six equivalent Pu(1), two equivalent Re(1), and four equivalent Re(2) atoms to form a mixture of distorted edge, corner, and face-sharing RePu6Re6 cuboctahedra. is represented by the CIF file [CIF]
data_PuRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.608
_cell_length_c   7.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.579
_symmetry_Int_Tables_number   1
_cell_volume   215.468
_cell_formula_units_Z   4
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  0.667  0.333  0.603  1.0
  Pu  Pu1  1  0.333  0.667  0.397  1.0
  Pu  Pu2  1  0.333  0.667  0.103  1.0
  Pu  Pu3  1  0.667  0.333  0.897  1.0
  Re  Re4  1  0.000  0.000  0.500  1.0
  Re  Re5  1  0.000  0.000  0.000  1.0
  Re  Re6  1  0.173  0.347  0.750  1.0
  Re  Re7  1  0.172  0.828  0.750  1.0
  Re  Re8  1  0.653  0.827  0.750  1.0
  Re  Re9  1  0.827  0.653  0.250  1.0
  Re  Re10  1  0.828  0.172  0.250  1.0
  Re  Re11  1  0.347  0.173  0.250  1.0
[/CIF]
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The compound described by PuRe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. Pu(1) is bonded in a 13-coordinate geometry to one Pu(1), three equivalent Re(1), three equivalent Re(3), and six equivalent Re(2) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Pu(1), two equivalent Re(3), and four equivalent Re(2) atoms to form a mixture of edge, corner, and face-sharing RePu6Re6 cuboctahedra. In the second Re site, Re(2) is bonded to six equivalent Pu(1), two equivalent Re(1), two equivalent Re(2), and two equivalent Re(3) atoms to form a mixture of distorted edge, corner, and face-sharing RePu6Re6 cuboctahedra. In the third Re site, Re(3) is bonded to six equivalent Pu(1), two equivalent Re(1), and four equivalent Re(2) atoms to form a mixture of distorted edge, corner, and face-sharing RePu6Re6 cuboctahedra. is represented by the CIF file [CIF]
data_PuRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.608
_cell_length_c   7.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.579
_symmetry_Int_Tables_number   1
_cell_volume   215.468
_cell_formula_units_Z   4
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  0.667  0.333  0.603  1.0
  Pu  Pu1  1  0.333  0.667  0.397  1.0
  Pu  Pu2  1  0.333  0.667  0.103  1.0
  Pu  Pu3  1  0.667  0.333  0.897  1.0
  Re  Re4  1  0.000  0.000  0.500  1.0
  Re  Re5  1  0.000  0.000  0.000  1.0
  Re  Re6  1  0.173  0.347  0.750  1.0
  Re  Re7  1  0.172  0.828  0.750  1.0
  Re  Re8  1  0.653  0.827  0.750  1.0
  Re  Re9  1  0.827  0.653  0.250  1.0
  Re  Re10  1  0.828  0.172  0.250  1.0
  Re  Re11  1  0.347  0.173  0.250  1.0
[/CIF]
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