The compound described by TiFe3PbBi3O12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(6), and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(7) atom to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form distorted corner-sharing FeO5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted corner-sharing FeO5 trigonal bipyramids. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(1), one Pb(1), and one Bi(1) atom. In the second O site, O(2) is bonded to one Fe(2), one Fe(3), one Bi(2), and one Bi(3) atom to form distorted edge-sharing OFe2Bi2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(3), 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 to one Fe(1), one Fe(3), one Bi(1), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OFe2Bi2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(2), one Pb(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(2), one Pb(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), one Bi(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ti(1), one Pb(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one Fe(1), one Pb(1), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Bi(1), and one Bi(3) atom. is represented by the CIF file [CIF]
data_TiFe3Bi3PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   6.002
_cell_length_c   9.698
_cell_angle_alpha   84.286
_cell_angle_beta   105.522
_cell_angle_gamma   114.757
_symmetry_Int_Tables_number   1
_cell_volume   277.605
_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
  Ti  Ti0  1  0.709  0.488  0.988  1.0
  Fe  Fe1  1  0.231  0.743  0.758  1.0
  Fe  Fe2  1  0.214  0.232  0.250  1.0
  Fe  Fe3  1  0.717  0.997  0.489  1.0
  Bi  Bi4  1  0.555  0.441  0.625  1.0
  Bi  Bi5  1  0.534  0.942  0.126  1.0
  Bi  Bi6  1  0.046  0.663  0.399  1.0
  Pb  Pb7  1  0.015  0.147  0.879  1.0
  O  O8  1  0.909  0.528  0.843  1.0
  O  O9  1  0.896  0.000  0.335  1.0
  O  O10  1  0.410  0.518  0.840  1.0
  O  O11  1  0.390  0.997  0.331  1.0
  O  O12  1  0.909  0.785  0.598  1.0
  O  O13  1  0.903  0.280  0.101  1.0
  O  O14  1  0.405  0.788  0.591  1.0
  O  O15  1  0.414  0.278  0.096  1.0
  O  O16  1  0.872  0.314  0.570  1.0
  O  O17  1  0.876  0.775  0.078  1.0
  O  O18  1  0.424  0.026  0.872  1.0
  O  O19  1  0.380  0.503  0.377  1.0
[/CIF]
.
The compound described by TiFe3PbBi3O12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(6), and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(7) atom to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form distorted corner-sharing FeO5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted corner-sharing FeO5 trigonal bipyramids. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(1), one Pb(1), and one Bi(1) atom. In the second O site, O(2) is bonded to one Fe(2), one Fe(3), one Bi(2), and one Bi(3) atom to form distorted edge-sharing OFe2Bi2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(3), 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 to one Fe(1), one Fe(3), one Bi(1), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OFe2Bi2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(2), one Pb(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(2), one Pb(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), one Bi(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ti(1), one Pb(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one Fe(1), one Pb(1), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Bi(1), and one Bi(3) atom. is represented by the CIF file [CIF]
data_TiFe3Bi3PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   6.002
_cell_length_c   9.698
_cell_angle_alpha   84.286
_cell_angle_beta   105.522
_cell_angle_gamma   114.757
_symmetry_Int_Tables_number   1
_cell_volume   277.605
_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
  Ti  Ti0  1  0.709  0.488  0.988  1.0
  Fe  Fe1  1  0.231  0.743  0.758  1.0
  Fe  Fe2  1  0.214  0.232  0.250  1.0
  Fe  Fe3  1  0.717  0.997  0.489  1.0
  Bi  Bi4  1  0.555  0.441  0.625  1.0
  Bi  Bi5  1  0.534  0.942  0.126  1.0
  Bi  Bi6  1  0.046  0.663  0.399  1.0
  Pb  Pb7  1  0.015  0.147  0.879  1.0
  O  O8  1  0.909  0.528  0.843  1.0
  O  O9  1  0.896  0.000  0.335  1.0
  O  O10  1  0.410  0.518  0.840  1.0
  O  O11  1  0.390  0.997  0.331  1.0
  O  O12  1  0.909  0.785  0.598  1.0
  O  O13  1  0.903  0.280  0.101  1.0
  O  O14  1  0.405  0.788  0.591  1.0
  O  O15  1  0.414  0.278  0.096  1.0
  O  O16  1  0.872  0.314  0.570  1.0
  O  O17  1  0.876  0.775  0.078  1.0
  O  O18  1  0.424  0.026  0.872  1.0
  O  O19  1  0.380  0.503  0.377  1.0
[/CIF]
.