The material described by PuPO4 crystallizes in the monoclinic P2_1/c space group. Pu(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Pu(1) and one P(1) atom. is represented by the CIF file [CIF]
data_PuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   6.420
_cell_length_c   8.123
_cell_angle_alpha   53.540
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.594
_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  0.335  0.182  0.715  1.0
  Pu  Pu1  1  0.165  0.182  0.215  1.0
  Pu  Pu2  1  0.665  0.818  0.285  1.0
  Pu  Pu3  1  0.835  0.818  0.785  1.0
  P  P4  1  0.335  0.693  0.693  1.0
  P  P5  1  0.165  0.693  0.193  1.0
  P  P6  1  0.665  0.307  0.307  1.0
  P  P7  1  0.835  0.307  0.807  1.0
  O  O8  1  0.991  0.193  0.749  1.0
  O  O9  1  0.509  0.193  0.249  1.0
  O  O10  1  0.009  0.807  0.251  1.0
  O  O11  1  0.491  0.807  0.751  1.0
  O  O12  1  0.394  0.669  0.523  1.0
  O  O13  1  0.106  0.669  0.023  1.0
  O  O14  1  0.606  0.331  0.477  1.0
  O  O15  1  0.894  0.331  0.977  1.0
  O  O16  1  0.282  0.415  0.871  1.0
  O  O17  1  0.218  0.415  0.371  1.0
  O  O18  1  0.718  0.585  0.129  1.0
  O  O19  1  0.782  0.585  0.629  1.0
  O  O20  1  0.166  0.886  0.614  1.0
  O  O21  1  0.334  0.886  0.114  1.0
  O  O22  1  0.834  0.114  0.386  1.0
  O  O23  1  0.666  0.114  0.886  1.0
[/CIF]
.
The material described by PuPO4 crystallizes in the monoclinic P2_1/c space group. Pu(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Pu(1) and one P(1) atom. is represented by the CIF file [CIF]
data_PuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   6.420
_cell_length_c   8.123
_cell_angle_alpha   53.540
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.594
_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  0.335  0.182  0.715  1.0
  Pu  Pu1  1  0.165  0.182  0.215  1.0
  Pu  Pu2  1  0.665  0.818  0.285  1.0
  Pu  Pu3  1  0.835  0.818  0.785  1.0
  P  P4  1  0.335  0.693  0.693  1.0
  P  P5  1  0.165  0.693  0.193  1.0
  P  P6  1  0.665  0.307  0.307  1.0
  P  P7  1  0.835  0.307  0.807  1.0
  O  O8  1  0.991  0.193  0.749  1.0
  O  O9  1  0.509  0.193  0.249  1.0
  O  O10  1  0.009  0.807  0.251  1.0
  O  O11  1  0.491  0.807  0.751  1.0
  O  O12  1  0.394  0.669  0.523  1.0
  O  O13  1  0.106  0.669  0.023  1.0
  O  O14  1  0.606  0.331  0.477  1.0
  O  O15  1  0.894  0.331  0.977  1.0
  O  O16  1  0.282  0.415  0.871  1.0
  O  O17  1  0.218  0.415  0.371  1.0
  O  O18  1  0.718  0.585  0.129  1.0
  O  O19  1  0.782  0.585  0.629  1.0
  O  O20  1  0.166  0.886  0.614  1.0
  O  O21  1  0.334  0.886  0.114  1.0
  O  O22  1  0.834  0.114  0.386  1.0
  O  O23  1  0.666  0.114  0.886  1.0
[/CIF]
.