The compound described by PuO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. Pu(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing PuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. O(1) is bonded in a trigonal planar geometry to three equivalent Pu(1) atoms. is represented by the CIF file [CIF]
data_PuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.053
_cell_length_b   5.053
_cell_length_c   3.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   91.686
_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  0.500  0.500  0.000  1.0
  Pu  Pu1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.811  0.811  0.000  1.0
  O  O3  1  0.189  0.189  0.000  1.0
  O  O4  1  0.689  0.311  0.500  1.0
  O  O5  1  0.311  0.689  0.500  1.0
[/CIF]
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The compound described by PuO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. Pu(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing PuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. O(1) is bonded in a trigonal planar geometry to three equivalent Pu(1) atoms. is represented by the CIF file [CIF]
data_PuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.053
_cell_length_b   5.053
_cell_length_c   3.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   91.686
_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  0.500  0.500  0.000  1.0
  Pu  Pu1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.811  0.811  0.000  1.0
  O  O3  1  0.189  0.189  0.000  1.0
  O  O4  1  0.689  0.311  0.500  1.0
  O  O5  1  0.311  0.689  0.500  1.0
[/CIF]
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