The crystal structure described by Na3Nb6Bi5O24 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(16), one O(17), one O(19), one O(22), and one O(3) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(13), one O(15), one O(18), one O(2), one O(20), one O(21), and one O(4) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(16), one O(17), one O(19), one O(24), and one O(3) atom. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(13), one O(18), one O(20), one O(21), one O(23), and one O(5) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. In the second Nb site, Nb(2) is bonded to one O(14), one O(17), one O(19), one O(22), one O(24), and one O(6) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. In the third Nb site, Nb(3) is bonded to one O(15), one O(18), one O(20), one O(21), one O(23), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(17), one O(19), one O(22), one O(24), and one O(8) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. In the fifth Nb site, Nb(5) is bonded to one O(1), one O(13), one O(14), one O(2), one O(3), and one O(4) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. In the sixth Nb site, Nb(6) is bonded to one O(1), one O(15), one O(16), one O(2), one O(3), and one O(4) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(13), one O(15), one O(18), one O(20), one O(23), and one O(4) atom. In the second Bi site, Bi(2) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(8), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(7), and one O(9) atom. In the fourth Bi site, Bi(4) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(6), and one O(9) atom. In the fifth Bi site, Bi(5) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(5), 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 Na(1), one Na(3), one Nb(5), and one Nb(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Nb(5), and one Nb(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Nb(5), and one Nb(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Nb(5), one Nb(6), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one Bi(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Nb(2) and one Bi(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Nb(3) and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Nb(4) and one Bi(2) atom. In the ninth O site, O(9) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the tenth O site, O(10) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the eleventh O site, O(11) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the twelfth O site, O(12) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(2), one Nb(1), one Nb(5), and one Bi(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(2), and one Nb(5) atom. In the fifteenth O site, O(15) is bonded in a distorted tetrahedral geometry to one Na(2), one Nb(3), one Nb(6), and one Bi(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(4), and one Nb(6) atom. In the seventeenth O site, O(17) is bonded to one Na(1), one Na(3), one Nb(2), and one Nb(4) atom to form distorted edge-sharing ONa2Nb2 tetrahedra. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(2), one Nb(1), one Nb(3), and one Bi(1) atom. In the nineteenth O site, O(19) is bonded to one Na(1), one Na(3), one Nb(2), and one Nb(4) atom to form distorted edge-sharing ONa2Nb2 tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(2), one Nb(1), one Nb(3), and one Bi(1) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Na(2), one Nb(1), and one Nb(3) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Na(1), one Nb(2), and one Nb(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Bi(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Na(3), one Nb(2), and one Nb(4) atom. is represented by the CIF card [CIF]
data_Na3Nb6Bi5O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.611
_cell_length_c   16.848
_cell_angle_alpha   99.508
_cell_angle_beta   89.965
_cell_angle_gamma   90.348
_symmetry_Int_Tables_number   1
_cell_volume   518.325
_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
  Na  Na0  1  0.492  0.580  0.133  1.0
  Na  Na1  1  0.506  0.446  0.878  1.0
  Na  Na2  1  0.007  0.078  0.133  1.0
  Nb  Nb3  1  0.503  0.903  0.753  1.0
  Nb  Nb4  1  0.501  0.150  0.249  1.0
  Nb  Nb5  1  0.009  0.392  0.751  1.0
  Nb  Nb6  1  0.002  0.649  0.249  1.0
  Nb  Nb7  1  0.505  0.018  0.006  1.0
  Nb  Nb8  1  0.995  0.510  0.007  1.0
  Bi  Bi9  1  0.011  0.904  0.875  1.0
  Bi  Bi10  1  0.464  0.750  0.423  1.0
  Bi  Bi11  1  0.534  0.324  0.574  1.0
  Bi  Bi12  1  0.036  0.248  0.423  1.0
  Bi  Bi13  1  0.966  0.823  0.574  1.0
  O  O14  1  0.239  0.278  0.016  1.0
  O  O15  1  0.751  0.264  0.974  1.0
  O  O16  1  0.255  0.782  0.016  1.0
  O  O17  1  0.751  0.768  0.976  1.0
  O  O18  1  0.579  0.856  0.641  1.0
  O  O19  1  0.423  0.221  0.360  1.0
  O  O20  1  0.914  0.364  0.642  1.0
  O  O21  1  0.076  0.722  0.361  1.0
  O  O22  1  0.249  0.541  0.502  1.0
  O  O23  1  0.749  0.039  0.497  1.0
  O  O24  1  0.248  0.039  0.502  1.0
  O  O25  1  0.750  0.538  0.496  1.0
  O  O26  1  0.416  0.989  0.879  1.0
  O  O27  1  0.574  0.107  0.117  1.0
  O  O28  1  0.078  0.512  0.877  1.0
  O  O29  1  0.920  0.602  0.116  1.0
  O  O30  1  0.221  0.385  0.221  1.0
  O  O31  1  0.791  0.151  0.781  1.0
  O  O32  1  0.275  0.885  0.220  1.0
  O  O33  1  0.718  0.661  0.782  1.0
  O  O34  1  0.301  0.218  0.742  1.0
  O  O35  1  0.712  0.462  0.255  1.0
  O  O36  1  0.193  0.727  0.746  1.0
  O  O37  1  0.785  0.962  0.254  1.0
[/CIF]
.
The crystal structure described by Na3Nb6Bi5O24 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(16), one O(17), one O(19), one O(22), and one O(3) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(13), one O(15), one O(18), one O(2), one O(20), one O(21), and one O(4) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(16), one O(17), one O(19), one O(24), and one O(3) atom. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(13), one O(18), one O(20), one O(21), one O(23), and one O(5) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. In the second Nb site, Nb(2) is bonded to one O(14), one O(17), one O(19), one O(22), one O(24), and one O(6) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. In the third Nb site, Nb(3) is bonded to one O(15), one O(18), one O(20), one O(21), one O(23), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(17), one O(19), one O(22), one O(24), and one O(8) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. In the fifth Nb site, Nb(5) is bonded to one O(1), one O(13), one O(14), one O(2), one O(3), and one O(4) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. In the sixth Nb site, Nb(6) is bonded to one O(1), one O(15), one O(16), one O(2), one O(3), and one O(4) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(13), one O(15), one O(18), one O(20), one O(23), and one O(4) atom. In the second Bi site, Bi(2) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(8), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(7), and one O(9) atom. In the fourth Bi site, Bi(4) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(6), and one O(9) atom. In the fifth Bi site, Bi(5) is bonded in a distorted pentagonal planar geometry to one O(10), one O(11), one O(12), one O(5), 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 Na(1), one Na(3), one Nb(5), and one Nb(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Nb(5), and one Nb(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Nb(5), and one Nb(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Nb(5), one Nb(6), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one Bi(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Nb(2) and one Bi(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Nb(3) and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Nb(4) and one Bi(2) atom. In the ninth O site, O(9) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the tenth O site, O(10) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the eleventh O site, O(11) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the twelfth O site, O(12) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Bi(5) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(2), one Nb(1), one Nb(5), and one Bi(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(2), and one Nb(5) atom. In the fifteenth O site, O(15) is bonded in a distorted tetrahedral geometry to one Na(2), one Nb(3), one Nb(6), and one Bi(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(4), and one Nb(6) atom. In the seventeenth O site, O(17) is bonded to one Na(1), one Na(3), one Nb(2), and one Nb(4) atom to form distorted edge-sharing ONa2Nb2 tetrahedra. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(2), one Nb(1), one Nb(3), and one Bi(1) atom. In the nineteenth O site, O(19) is bonded to one Na(1), one Na(3), one Nb(2), and one Nb(4) atom to form distorted edge-sharing ONa2Nb2 tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(2), one Nb(1), one Nb(3), and one Bi(1) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Na(2), one Nb(1), and one Nb(3) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Na(1), one Nb(2), and one Nb(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Bi(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Na(3), one Nb(2), and one Nb(4) atom. is represented by the CIF card [CIF]
data_Na3Nb6Bi5O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.611
_cell_length_c   16.848
_cell_angle_alpha   99.508
_cell_angle_beta   89.965
_cell_angle_gamma   90.348
_symmetry_Int_Tables_number   1
_cell_volume   518.325
_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
  Na  Na0  1  0.492  0.580  0.133  1.0
  Na  Na1  1  0.506  0.446  0.878  1.0
  Na  Na2  1  0.007  0.078  0.133  1.0
  Nb  Nb3  1  0.503  0.903  0.753  1.0
  Nb  Nb4  1  0.501  0.150  0.249  1.0
  Nb  Nb5  1  0.009  0.392  0.751  1.0
  Nb  Nb6  1  0.002  0.649  0.249  1.0
  Nb  Nb7  1  0.505  0.018  0.006  1.0
  Nb  Nb8  1  0.995  0.510  0.007  1.0
  Bi  Bi9  1  0.011  0.904  0.875  1.0
  Bi  Bi10  1  0.464  0.750  0.423  1.0
  Bi  Bi11  1  0.534  0.324  0.574  1.0
  Bi  Bi12  1  0.036  0.248  0.423  1.0
  Bi  Bi13  1  0.966  0.823  0.574  1.0
  O  O14  1  0.239  0.278  0.016  1.0
  O  O15  1  0.751  0.264  0.974  1.0
  O  O16  1  0.255  0.782  0.016  1.0
  O  O17  1  0.751  0.768  0.976  1.0
  O  O18  1  0.579  0.856  0.641  1.0
  O  O19  1  0.423  0.221  0.360  1.0
  O  O20  1  0.914  0.364  0.642  1.0
  O  O21  1  0.076  0.722  0.361  1.0
  O  O22  1  0.249  0.541  0.502  1.0
  O  O23  1  0.749  0.039  0.497  1.0
  O  O24  1  0.248  0.039  0.502  1.0
  O  O25  1  0.750  0.538  0.496  1.0
  O  O26  1  0.416  0.989  0.879  1.0
  O  O27  1  0.574  0.107  0.117  1.0
  O  O28  1  0.078  0.512  0.877  1.0
  O  O29  1  0.920  0.602  0.116  1.0
  O  O30  1  0.221  0.385  0.221  1.0
  O  O31  1  0.791  0.151  0.781  1.0
  O  O32  1  0.275  0.885  0.220  1.0
  O  O33  1  0.718  0.661  0.782  1.0
  O  O34  1  0.301  0.218  0.742  1.0
  O  O35  1  0.712  0.462  0.255  1.0
  O  O36  1  0.193  0.727  0.746  1.0
  O  O37  1  0.785  0.962  0.254  1.0
[/CIF]
.