The compound described by Sr2FePbBiO6 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(3), and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(4), and four equivalent O(5) atoms. Fe(1) is bonded to one O(3), one O(4), and four equivalent O(5) atoms to form distorted FeO6 square pyramids that share  a cornercorner with one Bi(1)O6 octahedra,  a cornercorner with one Pb(1)O5 square pyramid, and corners with four equivalent Fe(1)O6 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted PbO5 square pyramids that share corners with four equivalent Bi(1)O6 octahedra,  a cornercorner with one Fe(1)O6 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 90°. Bi(1) is bonded to one O(1), one O(4), and four equivalent O(2) atoms to form distorted BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra,  a cornercorner with one Fe(1)O6 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Pb(1), and one Bi(1) atom to form OSrBiPb4 octahedra that share corners with four equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(1)SrBiPb4 octahedra, corners with four equivalent O(2)SrBi4 square pyramids, edges with four equivalent O(3)Sr4FePb octahedra, and edges with four equivalent O(1)SrBiPb4 octahedra. The corner-sharing octahedral tilt angles range from 1-44°. In the second O site, O(2) is bonded to one Sr(2) and four equivalent Bi(1) atoms to form distorted OSrBi4 square pyramids that share corners with four equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(1)SrBiPb4 octahedra, corners with four equivalent O(2)SrBi4 square pyramids, and edges with four equivalent O(2)SrBi4 square pyramids. The corner-sharing octahedral tilt angles range from 47-88°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Fe(1), and one Pb(1) atom to form distorted OSr4FePb octahedra that share corners with four equivalent O(3)Sr4FePb octahedra, corners with eight equivalent O(5)Sr4Fe2 octahedra, edges with four equivalent O(3)Sr4FePb octahedra, edges with four equivalent O(1)SrBiPb4 octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(2), one Fe(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(5)Sr4Fe2 octahedra, corners with two equivalent O(1)SrBiPb4 octahedra, corners with four equivalent O(3)Sr4FePb octahedra, corners with two equivalent O(2)SrBi4 square pyramids, edges with two equivalent O(5)Sr4Fe2 octahedra, faces with two equivalent O(3)Sr4FePb octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. is represented by the CIF file [CIF]
data_Sr2FeBiPbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.243
_cell_length_b   12.243
_cell_length_c   12.243
_cell_angle_alpha   162.155
_cell_angle_beta   162.155
_cell_angle_gamma   25.341
_symmetry_Int_Tables_number   1
_cell_volume   172.270
_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
  Sr  Sr0  1  0.081  0.081  0.000  1.0
  Sr  Sr1  1  0.923  0.923  0.000  1.0
  Fe  Fe2  1  0.507  0.507  0.000  1.0
  Bi  Bi3  1  0.308  0.308  0.000  1.0
  Pb  Pb4  1  0.692  0.692  0.000  1.0
  O  O5  1  0.191  0.191  0.000  1.0
  O  O6  1  0.813  0.813  0.000  1.0
  O  O7  1  0.592  0.592  0.000  1.0
  O  O8  1  0.397  0.397  0.000  1.0
  O  O9  1  0.998  0.498  0.500  1.0
  O  O10  1  0.498  0.998  0.500  1.0
[/CIF]
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The compound described by Sr2FePbBiO6 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(3), and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(4), and four equivalent O(5) atoms. Fe(1) is bonded to one O(3), one O(4), and four equivalent O(5) atoms to form distorted FeO6 square pyramids that share  a cornercorner with one Bi(1)O6 octahedra,  a cornercorner with one Pb(1)O5 square pyramid, and corners with four equivalent Fe(1)O6 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted PbO5 square pyramids that share corners with four equivalent Bi(1)O6 octahedra,  a cornercorner with one Fe(1)O6 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 90°. Bi(1) is bonded to one O(1), one O(4), and four equivalent O(2) atoms to form distorted BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra,  a cornercorner with one Fe(1)O6 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Pb(1), and one Bi(1) atom to form OSrBiPb4 octahedra that share corners with four equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(1)SrBiPb4 octahedra, corners with four equivalent O(2)SrBi4 square pyramids, edges with four equivalent O(3)Sr4FePb octahedra, and edges with four equivalent O(1)SrBiPb4 octahedra. The corner-sharing octahedral tilt angles range from 1-44°. In the second O site, O(2) is bonded to one Sr(2) and four equivalent Bi(1) atoms to form distorted OSrBi4 square pyramids that share corners with four equivalent O(5)Sr4Fe2 octahedra, corners with four equivalent O(1)SrBiPb4 octahedra, corners with four equivalent O(2)SrBi4 square pyramids, and edges with four equivalent O(2)SrBi4 square pyramids. The corner-sharing octahedral tilt angles range from 47-88°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Fe(1), and one Pb(1) atom to form distorted OSr4FePb octahedra that share corners with four equivalent O(3)Sr4FePb octahedra, corners with eight equivalent O(5)Sr4Fe2 octahedra, edges with four equivalent O(3)Sr4FePb octahedra, edges with four equivalent O(1)SrBiPb4 octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(2), one Fe(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(5)Sr4Fe2 octahedra, corners with two equivalent O(1)SrBiPb4 octahedra, corners with four equivalent O(3)Sr4FePb octahedra, corners with two equivalent O(2)SrBi4 square pyramids, edges with two equivalent O(5)Sr4Fe2 octahedra, faces with two equivalent O(3)Sr4FePb octahedra, and faces with four equivalent O(5)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. is represented by the CIF file [CIF]
data_Sr2FeBiPbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.243
_cell_length_b   12.243
_cell_length_c   12.243
_cell_angle_alpha   162.155
_cell_angle_beta   162.155
_cell_angle_gamma   25.341
_symmetry_Int_Tables_number   1
_cell_volume   172.270
_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
  Sr  Sr0  1  0.081  0.081  0.000  1.0
  Sr  Sr1  1  0.923  0.923  0.000  1.0
  Fe  Fe2  1  0.507  0.507  0.000  1.0
  Bi  Bi3  1  0.308  0.308  0.000  1.0
  Pb  Pb4  1  0.692  0.692  0.000  1.0
  O  O5  1  0.191  0.191  0.000  1.0
  O  O6  1  0.813  0.813  0.000  1.0
  O  O7  1  0.592  0.592  0.000  1.0
  O  O8  1  0.397  0.397  0.000  1.0
  O  O9  1  0.998  0.498  0.500  1.0
  O  O10  1  0.498  0.998  0.500  1.0
[/CIF]
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