The structure described by Ti4FePb4BiO15 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. Fe(1) is bonded in a 5-coordinate geometry to one O(6) and four equivalent O(3) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and three equivalent O(5) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Pb(1) atoms. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), one Pb(1), and one Pb(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(2) and two equivalent Pb(2) atoms. In the fourth O site, O(3) is bonded to one Ti(1), one Fe(1), one Pb(1), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OTiFeBiPb tetrahedra. In the fifth O site, O(4) is bonded in a single-bond geometry to one Ti(1), one Pb(2), and two equivalent Pb(1) atoms. In the sixth O site, O(5) is bonded in a single-bond geometry to one Ti(2) and three equivalent Pb(2) atoms. is represented by the CIF file [CIF]
data_Ti4FeBiPb4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.849
_cell_length_b   13.849
_cell_length_c   4.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.302
_symmetry_Int_Tables_number   1
_cell_volume   350.307
_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  0.898  0.102  0.527  1.0
  Ti  Ti1  1  0.300  0.700  0.528  1.0
  Ti  Ti2  1  0.700  0.300  0.528  1.0
  Ti  Ti3  1  0.102  0.898  0.527  1.0
  Fe  Fe4  1  0.500  0.500  0.525  1.0
  Bi  Bi5  1  0.000  0.000  0.926  1.0
  Pb  Pb6  1  0.405  0.595  0.988  1.0
  Pb  Pb7  1  0.799  0.201  0.975  1.0
  Pb  Pb8  1  0.201  0.799  0.975  1.0
  Pb  Pb9  1  0.595  0.405  0.988  1.0
  O  O10  1  0.899  0.599  0.630  1.0
  O  O11  1  0.101  0.401  0.630  1.0
  O  O12  1  0.500  0.000  0.644  1.0
  O  O13  1  0.290  0.191  0.652  1.0
  O  O14  1  0.710  0.809  0.652  1.0
  O  O15  1  0.809  0.710  0.652  1.0
  O  O16  1  0.000  0.500  0.644  1.0
  O  O17  1  0.401  0.101  0.630  1.0
  O  O18  1  0.191  0.290  0.652  1.0
  O  O19  1  0.599  0.899  0.630  1.0
  O  O20  1  0.098  0.902  0.156  1.0
  O  O21  1  0.298  0.702  0.159  1.0
  O  O22  1  0.702  0.298  0.159  1.0
  O  O23  1  0.500  0.500  0.132  1.0
  O  O24  1  0.902  0.098  0.156  1.0
[/CIF]
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The structure described by Ti4FePb4BiO15 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. Fe(1) is bonded in a 5-coordinate geometry to one O(6) and four equivalent O(3) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and three equivalent O(5) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Pb(1) atoms. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), one Pb(1), and one Pb(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(2) and two equivalent Pb(2) atoms. In the fourth O site, O(3) is bonded to one Ti(1), one Fe(1), one Pb(1), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OTiFeBiPb tetrahedra. In the fifth O site, O(4) is bonded in a single-bond geometry to one Ti(1), one Pb(2), and two equivalent Pb(1) atoms. In the sixth O site, O(5) is bonded in a single-bond geometry to one Ti(2) and three equivalent Pb(2) atoms. is represented by the CIF file [CIF]
data_Ti4FeBiPb4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.849
_cell_length_b   13.849
_cell_length_c   4.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.302
_symmetry_Int_Tables_number   1
_cell_volume   350.307
_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  0.898  0.102  0.527  1.0
  Ti  Ti1  1  0.300  0.700  0.528  1.0
  Ti  Ti2  1  0.700  0.300  0.528  1.0
  Ti  Ti3  1  0.102  0.898  0.527  1.0
  Fe  Fe4  1  0.500  0.500  0.525  1.0
  Bi  Bi5  1  0.000  0.000  0.926  1.0
  Pb  Pb6  1  0.405  0.595  0.988  1.0
  Pb  Pb7  1  0.799  0.201  0.975  1.0
  Pb  Pb8  1  0.201  0.799  0.975  1.0
  Pb  Pb9  1  0.595  0.405  0.988  1.0
  O  O10  1  0.899  0.599  0.630  1.0
  O  O11  1  0.101  0.401  0.630  1.0
  O  O12  1  0.500  0.000  0.644  1.0
  O  O13  1  0.290  0.191  0.652  1.0
  O  O14  1  0.710  0.809  0.652  1.0
  O  O15  1  0.809  0.710  0.652  1.0
  O  O16  1  0.000  0.500  0.644  1.0
  O  O17  1  0.401  0.101  0.630  1.0
  O  O18  1  0.191  0.290  0.652  1.0
  O  O19  1  0.599  0.899  0.630  1.0
  O  O20  1  0.098  0.902  0.156  1.0
  O  O21  1  0.298  0.702  0.159  1.0
  O  O22  1  0.702  0.298  0.159  1.0
  O  O23  1  0.500  0.500  0.132  1.0
  O  O24  1  0.902  0.098  0.156  1.0
[/CIF]
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