The compound described by Ba2Fe5Pb2BiO13 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to one O(5), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(3)O5 trigonal bipyramids. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Fe site, Fe(3) is bonded to one O(4), one O(6), and three equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O5 trigonal bipyramids, edges with two equivalent Fe(3)O5 trigonal bipyramids, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-14°. Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Fe(2) atoms. In the second O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Fe(1), one Fe(2), and two equivalent Bi(1) atoms. In the third O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), one Fe(1), one Fe(2), and two equivalent Bi(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Fe(1), and one Pb(1) atom. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Fe(1), one Fe(3), and two equivalent Pb(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), three equivalent Fe(3), and one Pb(1) atom. In the seventh O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Fe(1), one Fe(3), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Ba2Fe5BiPb2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.836
_cell_length_b   13.836
_cell_length_c   5.810
_cell_angle_alpha   89.061
_cell_angle_beta   89.061
_cell_angle_gamma   16.521
_symmetry_Int_Tables_number   1
_cell_volume   316.214
_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
  Ba  Ba0  1  0.102  0.102  0.995  1.0
  Ba  Ba1  1  0.898  0.898  0.005  1.0
  Fe  Fe2  1  0.398  0.398  0.507  1.0
  Fe  Fe3  1  0.602  0.602  0.493  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.293  0.293  0.013  1.0
  Fe  Fe6  1  0.707  0.707  0.987  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  Pb  Pb8  1  0.806  0.806  0.502  1.0
  Pb  Pb9  1  0.194  0.194  0.498  1.0
  O  O10  1  0.450  0.450  0.739  1.0
  O  O11  1  0.550  0.550  0.261  1.0
  O  O12  1  0.551  0.551  0.735  1.0
  O  O13  1  0.449  0.449  0.265  1.0
  O  O14  1  0.891  0.891  0.505  1.0
  O  O15  1  0.109  0.109  0.495  1.0
  O  O16  1  0.664  0.664  0.722  1.0
  O  O17  1  0.336  0.336  0.278  1.0
  O  O18  1  0.220  0.220  0.946  1.0
  O  O19  1  0.780  0.780  0.054  1.0
  O  O20  1  0.338  0.338  0.761  1.0
  O  O21  1  0.662  0.662  0.239  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ba2Fe5Pb2BiO13 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to one O(5), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(3)O5 trigonal bipyramids. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Fe site, Fe(3) is bonded to one O(4), one O(6), and three equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O5 trigonal bipyramids, edges with two equivalent Fe(3)O5 trigonal bipyramids, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-14°. Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Fe(2) atoms. In the second O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Fe(1), one Fe(2), and two equivalent Bi(1) atoms. In the third O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), one Fe(1), one Fe(2), and two equivalent Bi(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Fe(1), and one Pb(1) atom. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Fe(1), one Fe(3), and two equivalent Pb(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), three equivalent Fe(3), and one Pb(1) atom. In the seventh O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Fe(1), one Fe(3), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Ba2Fe5BiPb2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.836
_cell_length_b   13.836
_cell_length_c   5.810
_cell_angle_alpha   89.061
_cell_angle_beta   89.061
_cell_angle_gamma   16.521
_symmetry_Int_Tables_number   1
_cell_volume   316.214
_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
  Ba  Ba0  1  0.102  0.102  0.995  1.0
  Ba  Ba1  1  0.898  0.898  0.005  1.0
  Fe  Fe2  1  0.398  0.398  0.507  1.0
  Fe  Fe3  1  0.602  0.602  0.493  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.293  0.293  0.013  1.0
  Fe  Fe6  1  0.707  0.707  0.987  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  Pb  Pb8  1  0.806  0.806  0.502  1.0
  Pb  Pb9  1  0.194  0.194  0.498  1.0
  O  O10  1  0.450  0.450  0.739  1.0
  O  O11  1  0.550  0.550  0.261  1.0
  O  O12  1  0.551  0.551  0.735  1.0
  O  O13  1  0.449  0.449  0.265  1.0
  O  O14  1  0.891  0.891  0.505  1.0
  O  O15  1  0.109  0.109  0.495  1.0
  O  O16  1  0.664  0.664  0.722  1.0
  O  O17  1  0.336  0.336  0.278  1.0
  O  O18  1  0.220  0.220  0.946  1.0
  O  O19  1  0.780  0.780  0.054  1.0
  O  O20  1  0.338  0.338  0.761  1.0
  O  O21  1  0.662  0.662  0.239  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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