data_PuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuBr2
_chemical_formula_sum   'Pu2 Br4'
_cell_volume   224.89
_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  0.14  0.0  0.1  1.0
  Pu  Pu1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.14  0.04  0.1  1.0
  Br  Br3  1  0.14  0.96  0.1  1.0
  Br  Br4  1  0.0  0.0  0.0  1.0
  Br  Br5  1  0.28  0.0  0.0  1.0

data_PuBr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.2
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   PuBr2
_chemical_formula_sum   'Pu2 Br4'
_cell_volume   224.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Pu  Pu1  1  0.1  0.0  0.14  1.0
  Br  Br2  2  0.1  0.04  0.14  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0
  Br  Br4  1  0.0  0.0  0.28  1.0

Pu Pu Br Br Br Br 0 2 o o o 0 3 o - o 0 5 o o o 1 4 o o o 2 5 o o o 3 5 o + o 
PuBr2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one PuBr2 cluster. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a linear geometry to one Br(2), one Br(3), and two equivalent Br(1) atoms. The Pu(1)-Br(2) bond length is 1.11 Å. The Pu(1)-Br(3) bond length is 1.11 Å. Both Pu(1)-Br(1) bond lengths are 0.29 Å. In the second Pu site, Pu(2) is bonded in a single-bond geometry to one Br(2) atom. The Pu(2)-Br(2) bond length is 0.01 Å. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Pu(1) atom. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Pu(1) and one Pu(2) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Pu(1) atom.