The material structure described by PuPaO4 is Fluorite-derived structured and crystallizes in the orthorhombic Ima2 space group. Pu(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Pa(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pu(1) and two equivalent Pa(1) atoms to form a mixture of corner and edge-sharing OPu2Pa2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pu(1) and two equivalent Pa(1) atoms to form a mixture of corner and edge-sharing OPu2Pa2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Pu(1) and two equivalent Pa(1) atoms to form a mixture of corner and edge-sharing OPu2Pa2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PuPaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.643
_cell_length_b   6.643
_cell_length_c   6.643
_cell_angle_alpha   131.457
_cell_angle_beta   131.625
_cell_angle_gamma   70.950
_symmetry_Int_Tables_number   1
_cell_volume   160.811
_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  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.750  0.250  0.500  1.0
  Pa  Pa2  1  0.500  0.500  0.000  1.0
  Pa  Pa3  1  0.251  0.750  0.500  1.0
  O  O4  1  0.609  0.125  0.984  1.0
  O  O5  1  0.877  0.388  0.017  1.0
  O  O6  1  0.378  0.390  0.516  1.0
  O  O7  1  0.136  0.625  0.011  1.0
  O  O8  1  0.378  0.861  0.988  1.0
  O  O9  1  0.877  0.860  0.488  1.0
  O  O10  1  0.136  0.125  0.511  1.0
  O  O11  1  0.609  0.625  0.484  1.0
[/CIF]
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The material structure described by PuPaO4 is Fluorite-derived structured and crystallizes in the orthorhombic Ima2 space group. Pu(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Pa(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pu(1) and two equivalent Pa(1) atoms to form a mixture of corner and edge-sharing OPu2Pa2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pu(1) and two equivalent Pa(1) atoms to form a mixture of corner and edge-sharing OPu2Pa2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Pu(1) and two equivalent Pa(1) atoms to form a mixture of corner and edge-sharing OPu2Pa2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PuPaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.643
_cell_length_b   6.643
_cell_length_c   6.643
_cell_angle_alpha   131.457
_cell_angle_beta   131.625
_cell_angle_gamma   70.950
_symmetry_Int_Tables_number   1
_cell_volume   160.811
_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  0.000  0.000  0.000  1.0
  Pu  Pu1  1  0.750  0.250  0.500  1.0
  Pa  Pa2  1  0.500  0.500  0.000  1.0
  Pa  Pa3  1  0.251  0.750  0.500  1.0
  O  O4  1  0.609  0.125  0.984  1.0
  O  O5  1  0.877  0.388  0.017  1.0
  O  O6  1  0.378  0.390  0.516  1.0
  O  O7  1  0.136  0.625  0.011  1.0
  O  O8  1  0.378  0.861  0.988  1.0
  O  O9  1  0.877  0.860  0.488  1.0
  O  O10  1  0.136  0.125  0.511  1.0
  O  O11  1  0.609  0.625  0.484  1.0
[/CIF]
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