The material described by Pa2Rh2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Pa site, Pa(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form PaO12 cuboctahedra that share corners with four equivalent Pa(2)O12 cuboctahedra, faces with four equivalent Pa(2)O12 cuboctahedra, and faces with eight equivalent Rh(1)O5 square pyramids. Rh(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted RhO5 square pyramids that share corners with five equivalent Rh(1)O5 square pyramids and faces with four equivalent Pa(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pa(1), two equivalent Pa(2), and two equivalent Rh(1) atoms to form a mixture of distorted corner, face, and edge-sharing OPa4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to four equivalent Pa(2) and two equivalent Rh(1) atoms to form a mixture of distorted corner, face, and edge-sharing OPa4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_Pa2Rh2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.032
_cell_length_b   4.032
_cell_length_c   6.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.973
_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
  Pa  Pa0  1  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.000  0.000  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.191  1.0
  Rh  Rh3  1  0.500  0.500  0.809  1.0
  O  O4  1  0.500  0.000  0.239  1.0
  O  O5  1  0.500  0.000  0.761  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.239  1.0
  O  O8  1  0.000  0.500  0.761  1.0
[/CIF]
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The material described by Pa2Rh2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Pa site, Pa(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form PaO12 cuboctahedra that share corners with four equivalent Pa(2)O12 cuboctahedra, faces with four equivalent Pa(2)O12 cuboctahedra, and faces with eight equivalent Rh(1)O5 square pyramids. Rh(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted RhO5 square pyramids that share corners with five equivalent Rh(1)O5 square pyramids and faces with four equivalent Pa(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pa(1), two equivalent Pa(2), and two equivalent Rh(1) atoms to form a mixture of distorted corner, face, and edge-sharing OPa4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to four equivalent Pa(2) and two equivalent Rh(1) atoms to form a mixture of distorted corner, face, and edge-sharing OPa4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_Pa2Rh2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.032
_cell_length_b   4.032
_cell_length_c   6.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.973
_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
  Pa  Pa0  1  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.000  0.000  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.191  1.0
  Rh  Rh3  1  0.500  0.500  0.809  1.0
  O  O4  1  0.500  0.000  0.239  1.0
  O  O5  1  0.500  0.000  0.761  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.239  1.0
  O  O8  1  0.000  0.500  0.761  1.0
[/CIF]
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