The material structure described by PuCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pu(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pu(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Pu(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OPu2Cr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PuCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.473
_cell_length_b   5.615
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.192
_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  0.009  0.453  0.250  1.0
  Pu  Pu1  1  0.991  0.547  0.750  1.0
  Pu  Pu2  1  0.509  0.047  0.750  1.0
  Pu  Pu3  1  0.491  0.953  0.250  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.500  0.000  1.0
  Cr  Cr6  1  0.000  0.000  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.304  0.197  0.047  1.0
  O  O9  1  0.696  0.803  0.953  1.0
  O  O10  1  0.804  0.303  0.953  1.0
  O  O11  1  0.696  0.803  0.547  1.0
  O  O12  1  0.196  0.697  0.047  1.0
  O  O13  1  0.304  0.197  0.453  1.0
  O  O14  1  0.196  0.697  0.453  1.0
  O  O15  1  0.804  0.303  0.547  1.0
  O  O16  1  0.595  0.533  0.250  1.0
  O  O17  1  0.405  0.467  0.750  1.0
  O  O18  1  0.095  0.967  0.750  1.0
  O  O19  1  0.905  0.033  0.250  1.0
[/CIF]
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The material structure described by PuCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pu(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pu(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Pu(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OPu2Cr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PuCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.473
_cell_length_b   5.615
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.192
_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  0.009  0.453  0.250  1.0
  Pu  Pu1  1  0.991  0.547  0.750  1.0
  Pu  Pu2  1  0.509  0.047  0.750  1.0
  Pu  Pu3  1  0.491  0.953  0.250  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.500  0.000  1.0
  Cr  Cr6  1  0.000  0.000  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.304  0.197  0.047  1.0
  O  O9  1  0.696  0.803  0.953  1.0
  O  O10  1  0.804  0.303  0.953  1.0
  O  O11  1  0.696  0.803  0.547  1.0
  O  O12  1  0.196  0.697  0.047  1.0
  O  O13  1  0.304  0.197  0.453  1.0
  O  O14  1  0.196  0.697  0.453  1.0
  O  O15  1  0.804  0.303  0.547  1.0
  O  O16  1  0.595  0.533  0.250  1.0
  O  O17  1  0.405  0.467  0.750  1.0
  O  O18  1  0.095  0.967  0.750  1.0
  O  O19  1  0.905  0.033  0.250  1.0
[/CIF]
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