The compound described by Pb2FeReO6 crystallizes in the tetragonal I4 space group. Re(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Re(1), one Fe(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Re(1), one Fe(1), and four equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Re(1), one Fe(1), and four equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_FeRe(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.688
_cell_length_c   5.689
_cell_angle_alpha   60.080
_cell_angle_beta   60.115
_cell_angle_gamma   90.155
_symmetry_Int_Tables_number   1
_cell_volume   130.270
_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
  Fe  Fe0  1  0.510  0.510  0.980  1.0
  Re  Re1  1  0.004  0.004  0.991  1.0
  Pb  Pb2  1  0.277  0.778  0.445  1.0
  Pb  Pb3  1  0.778  0.277  0.445  1.0
  O  O4  1  0.251  0.229  0.010  1.0
  O  O5  1  0.739  0.761  0.010  1.0
  O  O6  1  0.761  0.251  0.010  1.0
  O  O7  1  0.229  0.739  0.010  1.0
  O  O8  1  0.759  0.759  0.484  1.0
  O  O9  1  0.244  0.244  0.511  1.0
[/CIF]
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The compound described by Pb2FeReO6 crystallizes in the tetragonal I4 space group. Re(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Re(1), one Fe(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Re(1), one Fe(1), and four equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Re(1), one Fe(1), and four equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_FeRe(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.688
_cell_length_c   5.689
_cell_angle_alpha   60.080
_cell_angle_beta   60.115
_cell_angle_gamma   90.155
_symmetry_Int_Tables_number   1
_cell_volume   130.270
_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
  Fe  Fe0  1  0.510  0.510  0.980  1.0
  Re  Re1  1  0.004  0.004  0.991  1.0
  Pb  Pb2  1  0.277  0.778  0.445  1.0
  Pb  Pb3  1  0.778  0.277  0.445  1.0
  O  O4  1  0.251  0.229  0.010  1.0
  O  O5  1  0.739  0.761  0.010  1.0
  O  O6  1  0.761  0.251  0.010  1.0
  O  O7  1  0.229  0.739  0.010  1.0
  O  O8  1  0.759  0.759  0.484  1.0
  O  O9  1  0.244  0.244  0.511  1.0
[/CIF]
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