The material described by PrO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to five equivalent Pr(1) atoms. In the second O site, O(1) is bonded to four equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.729
_cell_length_b   6.322
_cell_length_c   7.270
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.400
_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
  Pr  Pr0  1  0.250  0.257  0.611  1.0
  Pr  Pr1  1  0.250  0.757  0.889  1.0
  Pr  Pr2  1  0.750  0.743  0.389  1.0
  Pr  Pr3  1  0.750  0.243  0.111  1.0
  O  O4  1  0.250  0.140  0.922  1.0
  O  O5  1  0.250  0.640  0.578  1.0
  O  O6  1  0.750  0.860  0.078  1.0
  O  O7  1  0.750  0.360  0.422  1.0
  O  O8  1  0.250  0.019  0.334  1.0
  O  O9  1  0.250  0.519  0.166  1.0
  O  O10  1  0.750  0.981  0.666  1.0
  O  O11  1  0.750  0.481  0.834  1.0
[/CIF]
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The material described by PrO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to five equivalent Pr(1) atoms. In the second O site, O(1) is bonded to four equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.729
_cell_length_b   6.322
_cell_length_c   7.270
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.400
_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
  Pr  Pr0  1  0.250  0.257  0.611  1.0
  Pr  Pr1  1  0.250  0.757  0.889  1.0
  Pr  Pr2  1  0.750  0.743  0.389  1.0
  Pr  Pr3  1  0.750  0.243  0.111  1.0
  O  O4  1  0.250  0.140  0.922  1.0
  O  O5  1  0.250  0.640  0.578  1.0
  O  O6  1  0.750  0.860  0.078  1.0
  O  O7  1  0.750  0.360  0.422  1.0
  O  O8  1  0.250  0.019  0.334  1.0
  O  O9  1  0.250  0.519  0.166  1.0
  O  O10  1  0.750  0.981  0.666  1.0
  O  O11  1  0.750  0.481  0.834  1.0
[/CIF]
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