The material structure described by K2Pu2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second K site, K(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, faces with four equivalent K(2)O12 cuboctahedra, and faces with eight equivalent Pu(1)O5 square pyramids. Pu(1) is bonded to one O(2) and four equivalent O(1) atoms to form PuO5 square pyramids that share corners with five equivalent Pu(1)O5 square pyramids and faces with four equivalent K(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Pu(1) atoms. In the second O site, O(2) is bonded to four equivalent K(2) and two equivalent Pu(1) atoms to form a mixture of distorted corner and edge-sharing OK4Pu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K2Pu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.289
_cell_length_b   4.289
_cell_length_c   8.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   158.271
_cell_formula_units_Z   1
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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.000  0.000  0.500  1.0
  Pu  Pu2  1  0.500  0.500  0.747  1.0
  Pu  Pu3  1  0.500  0.500  0.253  1.0
  O  O4  1  0.000  0.500  0.781  1.0
  O  O5  1  0.000  0.500  0.219  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.781  1.0
  O  O8  1  0.500  0.000  0.219  1.0
[/CIF]
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The material structure described by K2Pu2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second K site, K(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, faces with four equivalent K(2)O12 cuboctahedra, and faces with eight equivalent Pu(1)O5 square pyramids. Pu(1) is bonded to one O(2) and four equivalent O(1) atoms to form PuO5 square pyramids that share corners with five equivalent Pu(1)O5 square pyramids and faces with four equivalent K(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Pu(1) atoms. In the second O site, O(2) is bonded to four equivalent K(2) and two equivalent Pu(1) atoms to form a mixture of distorted corner and edge-sharing OK4Pu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K2Pu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.289
_cell_length_b   4.289
_cell_length_c   8.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   158.271
_cell_formula_units_Z   1
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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.000  0.000  0.500  1.0
  Pu  Pu2  1  0.500  0.500  0.747  1.0
  Pu  Pu3  1  0.500  0.500  0.253  1.0
  O  O4  1  0.000  0.500  0.781  1.0
  O  O5  1  0.000  0.500  0.219  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.781  1.0
  O  O8  1  0.500  0.000  0.219  1.0
[/CIF]
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