The material structure described by PrTi6Bi7O24 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(17), one O(2), one O(23), one O(4), and two equivalent O(19) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(17), one O(18), one O(2), one O(3), and one O(4) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the second Ti site, Ti(2) is bonded to one O(1), one O(19), one O(2), one O(20), one O(3), and one O(4) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(17), one O(21), one O(23), and one O(5) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(22), one O(24), one O(6), and one O(9) atom. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(19), one O(21), one O(23), and one O(7) atom. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to one O(11), one O(20), one O(22), one O(24), one O(8), and one O(9) atom. There are seven inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(6), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(5), and one O(7) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(6), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(5), and one O(7) atom. In the fifth Bi site, Bi(5) is bonded in a 7-coordinate geometry to one O(11), one O(18), one O(20), one O(22), one O(24), one O(3), and one O(9) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(17), one O(19), one O(21), one O(23), and one O(4) atom. In the seventh Bi site, Bi(7) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(18), one O(20), one O(24), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and one Bi(7) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pr(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Bi(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Ti(1), one Ti(2), and one Bi(6) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ti(3), one Bi(2), and one Bi(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ti(4), one Bi(1), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ti(5), one Bi(2), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ti(6), one Bi(1), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ti(4), one Ti(6), one Bi(5), and one Bi(7) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Pr(1), one Ti(3), one Ti(5), and one Bi(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(4), one Ti(6), one Bi(5), and one Bi(7) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Pr(1), one Ti(3), one Ti(5), and one Bi(6) atom. In the thirteenth O site, O(13) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifteenth O site, O(15) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the sixteenth O site, O(16) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Pr(1), one Ti(1), one Ti(3), and one Bi(6) atom. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Bi(5), and one Bi(7) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to two equivalent Pr(1), one Ti(2), one Ti(5), and one Bi(6) atom. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(6), one Bi(5), and one Bi(7) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Ti(3), one Ti(5), and one Bi(6) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Ti(4), one Ti(6), and one Bi(5) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Pr(1), one Ti(3), one Ti(5), and one Bi(6) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ti(4), one Ti(6), one Bi(5), and one Bi(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrTi6Bi7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.477
_cell_length_c   16.978
_cell_angle_alpha   89.997
_cell_angle_beta   98.849
_cell_angle_gamma   90.414
_symmetry_Int_Tables_number   1
_cell_volume   499.483
_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
  Pr  Pr0  1  0.106  0.007  0.128  1.0
  Ti  Ti1  1  0.040  0.501  0.001  1.0
  Ti  Ti2  1  0.542  1.000  0.002  1.0
  Ti  Ti3  1  0.156  0.501  0.257  1.0
  Ti  Ti4  1  0.897  0.500  0.742  1.0
  Ti  Ti5  1  0.663  0.001  0.257  1.0
  Ti  Ti6  1  0.397  0.002  0.742  1.0
  Bi  Bi7  1  0.298  0.526  0.577  1.0
  Bi  Bi8  1  0.724  0.474  0.423  1.0
  Bi  Bi9  1  0.799  0.975  0.577  1.0
  Bi  Bi10  1  0.224  0.026  0.423  1.0
  Bi  Bi11  1  0.434  0.497  0.867  1.0
  Bi  Bi12  1  0.581  0.510  0.136  1.0
  Bi  Bi13  1  0.936  0.005  0.868  1.0
  O  O14  1  0.822  0.764  0.984  1.0
  O  O15  1  0.829  0.245  0.022  1.0
  O  O16  1  0.317  0.736  0.978  1.0
  O  O17  1  0.321  0.243  0.023  1.0
  O  O18  1  0.226  0.441  0.362  1.0
  O  O19  1  0.866  0.558  0.638  1.0
  O  O20  1  0.727  0.059  0.361  1.0
  O  O21  1  0.367  0.941  0.638  1.0
  O  O22  1  0.698  0.776  0.776  1.0
  O  O23  1  0.914  0.231  0.222  1.0
  O  O24  1  0.197  0.724  0.776  1.0
  O  O25  1  0.410  0.265  0.221  1.0
  O  O26  1  0.521  0.746  0.498  1.0
  O  O27  1  0.022  0.254  0.502  1.0
  O  O28  1  0.021  0.754  0.498  1.0
  O  O29  1  0.522  0.246  0.502  1.0
  O  O30  1  0.140  0.572  0.115  1.0
  O  O31  1  0.020  0.427  0.885  1.0
  O  O32  1  0.602  0.928  0.116  1.0
  O  O33  1  0.523  0.071  0.885  1.0
  O  O34  1  0.875  0.719  0.244  1.0
  O  O35  1  0.624  0.286  0.753  1.0
  O  O36  1  0.380  0.775  0.246  1.0
  O  O37  1  0.124  0.214  0.754  1.0
[/CIF]
.
The material structure described by PrTi6Bi7O24 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(17), one O(2), one O(23), one O(4), and two equivalent O(19) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(17), one O(18), one O(2), one O(3), and one O(4) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the second Ti site, Ti(2) is bonded to one O(1), one O(19), one O(2), one O(20), one O(3), and one O(4) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(17), one O(21), one O(23), and one O(5) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(22), one O(24), one O(6), and one O(9) atom. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(19), one O(21), one O(23), and one O(7) atom. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to one O(11), one O(20), one O(22), one O(24), one O(8), and one O(9) atom. There are seven inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(6), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(5), and one O(7) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(6), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(5), and one O(7) atom. In the fifth Bi site, Bi(5) is bonded in a 7-coordinate geometry to one O(11), one O(18), one O(20), one O(22), one O(24), one O(3), and one O(9) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(17), one O(19), one O(21), one O(23), and one O(4) atom. In the seventh Bi site, Bi(7) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(18), one O(20), one O(24), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and one Bi(7) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pr(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Bi(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Ti(1), one Ti(2), and one Bi(6) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ti(3), one Bi(2), and one Bi(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ti(4), one Bi(1), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ti(5), one Bi(2), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ti(6), one Bi(1), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ti(4), one Ti(6), one Bi(5), and one Bi(7) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Pr(1), one Ti(3), one Ti(5), and one Bi(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(4), one Ti(6), one Bi(5), and one Bi(7) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Pr(1), one Ti(3), one Ti(5), and one Bi(6) atom. In the thirteenth O site, O(13) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifteenth O site, O(15) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the sixteenth O site, O(16) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Pr(1), one Ti(1), one Ti(3), and one Bi(6) atom. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Bi(5), and one Bi(7) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to two equivalent Pr(1), one Ti(2), one Ti(5), and one Bi(6) atom. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(6), one Bi(5), and one Bi(7) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Ti(3), one Ti(5), and one Bi(6) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Ti(4), one Ti(6), and one Bi(5) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Pr(1), one Ti(3), one Ti(5), and one Bi(6) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ti(4), one Ti(6), one Bi(5), and one Bi(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrTi6Bi7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.477
_cell_length_c   16.978
_cell_angle_alpha   89.997
_cell_angle_beta   98.849
_cell_angle_gamma   90.414
_symmetry_Int_Tables_number   1
_cell_volume   499.483
_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
  Pr  Pr0  1  0.106  0.007  0.128  1.0
  Ti  Ti1  1  0.040  0.501  0.001  1.0
  Ti  Ti2  1  0.542  1.000  0.002  1.0
  Ti  Ti3  1  0.156  0.501  0.257  1.0
  Ti  Ti4  1  0.897  0.500  0.742  1.0
  Ti  Ti5  1  0.663  0.001  0.257  1.0
  Ti  Ti6  1  0.397  0.002  0.742  1.0
  Bi  Bi7  1  0.298  0.526  0.577  1.0
  Bi  Bi8  1  0.724  0.474  0.423  1.0
  Bi  Bi9  1  0.799  0.975  0.577  1.0
  Bi  Bi10  1  0.224  0.026  0.423  1.0
  Bi  Bi11  1  0.434  0.497  0.867  1.0
  Bi  Bi12  1  0.581  0.510  0.136  1.0
  Bi  Bi13  1  0.936  0.005  0.868  1.0
  O  O14  1  0.822  0.764  0.984  1.0
  O  O15  1  0.829  0.245  0.022  1.0
  O  O16  1  0.317  0.736  0.978  1.0
  O  O17  1  0.321  0.243  0.023  1.0
  O  O18  1  0.226  0.441  0.362  1.0
  O  O19  1  0.866  0.558  0.638  1.0
  O  O20  1  0.727  0.059  0.361  1.0
  O  O21  1  0.367  0.941  0.638  1.0
  O  O22  1  0.698  0.776  0.776  1.0
  O  O23  1  0.914  0.231  0.222  1.0
  O  O24  1  0.197  0.724  0.776  1.0
  O  O25  1  0.410  0.265  0.221  1.0
  O  O26  1  0.521  0.746  0.498  1.0
  O  O27  1  0.022  0.254  0.502  1.0
  O  O28  1  0.021  0.754  0.498  1.0
  O  O29  1  0.522  0.246  0.502  1.0
  O  O30  1  0.140  0.572  0.115  1.0
  O  O31  1  0.020  0.427  0.885  1.0
  O  O32  1  0.602  0.928  0.116  1.0
  O  O33  1  0.523  0.071  0.885  1.0
  O  O34  1  0.875  0.719  0.244  1.0
  O  O35  1  0.624  0.286  0.753  1.0
  O  O36  1  0.380  0.775  0.246  1.0
  O  O37  1  0.124  0.214  0.754  1.0
[/CIF]
.