The structure described by TiFe2PbBi2O9 is Ilmenite-derived structured and crystallizes in the trigonal P3 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-21°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the third Fe site, Fe(3) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-25°. In the fourth Fe site, Fe(4) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(6) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Bi(2), and one Bi(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(3), one Pb(1), and one Pb(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(4), one Bi(1), and one Bi(3) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OFe2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Pb(1), and one Bi(4) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(3), one Pb(2), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFe2Bi2PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.641
_cell_length_b   5.641
_cell_length_c   14.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   387.020
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.333  0.667  0.205  1.0
  Ti  Ti1  1  0.000  0.000  0.029  1.0
  Fe  Fe2  1  0.000  0.000  0.528  1.0
  Fe  Fe3  1  0.667  0.333  0.860  1.0
  Fe  Fe4  1  0.667  0.333  0.367  1.0
  Fe  Fe5  1  0.333  0.667  0.697  1.0
  Bi  Bi6  1  0.333  0.667  0.475  1.0
  Bi  Bi7  1  0.000  0.000  0.801  1.0
  Bi  Bi8  1  0.667  0.333  0.635  1.0
  Bi  Bi9  1  0.333  0.667  0.969  1.0
  Pb  Pb10  1  0.667  0.333  0.131  1.0
  Pb  Pb11  1  0.000  0.000  0.303  1.0
  O  O12  1  0.917  0.688  0.929  1.0
  O  O13  1  0.534  0.001  0.265  1.0
  O  O14  1  0.252  0.349  0.600  1.0
  O  O15  1  0.771  0.083  0.929  1.0
  O  O16  1  0.467  0.466  0.265  1.0
  O  O17  1  0.098  0.748  0.600  1.0
  O  O18  1  0.312  0.229  0.929  1.0
  O  O19  1  0.999  0.533  0.265  1.0
  O  O20  1  0.651  0.902  0.600  1.0
  O  O21  1  0.585  0.568  0.765  1.0
  O  O22  1  0.209  0.865  0.092  1.0
  O  O23  1  0.911  0.237  0.437  1.0
  O  O24  1  0.983  0.415  0.765  1.0
  O  O25  1  0.656  0.791  0.092  1.0
  O  O26  1  0.325  0.089  0.437  1.0
  O  O27  1  0.432  0.017  0.765  1.0
  O  O28  1  0.135  0.344  0.092  1.0
  O  O29  1  0.763  0.675  0.437  1.0
[/CIF]
.
The structure described by TiFe2PbBi2O9 is Ilmenite-derived structured and crystallizes in the trigonal P3 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-21°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the third Fe site, Fe(3) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-25°. In the fourth Fe site, Fe(4) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(6) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Bi(2), and one Bi(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(3), one Pb(1), and one Pb(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(4), one Bi(1), and one Bi(3) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OFe2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Pb(1), and one Bi(4) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(3), one Pb(2), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFe2Bi2PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.641
_cell_length_b   5.641
_cell_length_c   14.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   387.020
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.333  0.667  0.205  1.0
  Ti  Ti1  1  0.000  0.000  0.029  1.0
  Fe  Fe2  1  0.000  0.000  0.528  1.0
  Fe  Fe3  1  0.667  0.333  0.860  1.0
  Fe  Fe4  1  0.667  0.333  0.367  1.0
  Fe  Fe5  1  0.333  0.667  0.697  1.0
  Bi  Bi6  1  0.333  0.667  0.475  1.0
  Bi  Bi7  1  0.000  0.000  0.801  1.0
  Bi  Bi8  1  0.667  0.333  0.635  1.0
  Bi  Bi9  1  0.333  0.667  0.969  1.0
  Pb  Pb10  1  0.667  0.333  0.131  1.0
  Pb  Pb11  1  0.000  0.000  0.303  1.0
  O  O12  1  0.917  0.688  0.929  1.0
  O  O13  1  0.534  0.001  0.265  1.0
  O  O14  1  0.252  0.349  0.600  1.0
  O  O15  1  0.771  0.083  0.929  1.0
  O  O16  1  0.467  0.466  0.265  1.0
  O  O17  1  0.098  0.748  0.600  1.0
  O  O18  1  0.312  0.229  0.929  1.0
  O  O19  1  0.999  0.533  0.265  1.0
  O  O20  1  0.651  0.902  0.600  1.0
  O  O21  1  0.585  0.568  0.765  1.0
  O  O22  1  0.209  0.865  0.092  1.0
  O  O23  1  0.911  0.237  0.437  1.0
  O  O24  1  0.983  0.415  0.765  1.0
  O  O25  1  0.656  0.791  0.092  1.0
  O  O26  1  0.325  0.089  0.437  1.0
  O  O27  1  0.432  0.017  0.765  1.0
  O  O28  1  0.135  0.344  0.092  1.0
  O  O29  1  0.763  0.675  0.437  1.0
[/CIF]
.