The material structure described by Na5Ce3Ti6Nb2O24 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(15), two equivalent O(3), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(16), two equivalent O(12), two equivalent O(4), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(14), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(13), two equivalent O(10), and two equivalent O(9) atoms. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(12), two equivalent O(16), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one O(11), two equivalent O(3), and two equivalent O(6) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(7), and two equivalent O(8) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(10), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(15), one O(2), two equivalent O(10), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, and corners with four equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. In the second Ti site, Ti(2) is bonded to one O(1), one O(15), two equivalent O(3), and two equivalent O(8) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. In the third Ti site, Ti(3) is bonded to one O(1), one O(16), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(14), two equivalent O(3), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the fifth Ti site, Ti(5) is bonded to one O(12), one O(13), two equivalent O(5), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), two equivalent O(10), and two equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(16), one O(2), two equivalent O(5), and two equivalent O(9) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and corners with four equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. In the second Nb site, Nb(2) is bonded to one O(12), one O(14), two equivalent O(4), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-29°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(2), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ce(3), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Ce(1), one Ti(2), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Ti(3), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Ti(5), and one Nb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Ce(1), one Ti(1), and one Ti(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), one Ce(2), one Ti(3), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Ce(2), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(4), one Ce(3), one Ti(5), and one Nb(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(4), one Ce(3), one Ti(1), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ce(1), one Ti(4), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(5), two equivalent Na(2), one Ti(5), and one Nb(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(4), one Ti(5), and one Ti(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(3), one Ti(4), and one Nb(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Ti(2) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(2), two equivalent Na(5), one Ti(3), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Ce3Ti6Nb2O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.478
_cell_length_c   15.382
_cell_angle_alpha   89.943
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.351
_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  0.500  0.508  0.125  1.0
  Na  Na1  1  0.500  0.514  0.626  1.0
  Na  Na2  1  1.000  0.006  0.373  1.0
  Na  Na3  1  0.000  0.010  0.877  1.0
  Na  Na4  1  1.000  0.979  0.625  1.0
  Ce  Ce5  1  1.000  0.992  0.125  1.0
  Ce  Ce6  1  0.500  0.491  0.371  1.0
  Ce  Ce7  1  0.500  0.496  0.879  1.0
  Ti  Ti8  1  0.500  0.003  0.002  1.0
  Ti  Ti9  1  0.500  0.001  0.248  1.0
  Ti  Ti10  1  0.500  0.997  0.497  1.0
  Ti  Ti11  1  0.000  0.502  0.251  1.0
  Ti  Ti12  1  0.000  0.501  0.754  1.0
  Ti  Ti13  1  1.000  0.503  0.001  1.0
  Nb  Nb14  1  0.500  0.001  0.744  1.0
  Nb  Nb15  1  1.000  0.495  0.507  1.0
  O  O16  1  0.500  0.916  0.373  1.0
  O  O17  1  0.500  0.919  0.878  1.0
  O  O18  1  0.248  0.750  0.228  1.0
  O  O19  1  0.258  0.742  0.517  1.0
  O  O20  1  0.251  0.742  0.733  1.0
  O  O21  1  0.248  0.752  0.021  1.0
  O  O22  1  0.257  0.246  0.473  1.0
  O  O23  1  0.252  0.250  0.269  1.0
  O  O24  1  0.254  0.257  0.777  1.0
  O  O25  1  0.252  0.252  0.981  1.0
  O  O26  1  1.000  0.418  0.125  1.0
  O  O27  1  0.000  0.408  0.628  1.0
  O  O28  1  0.000  0.576  0.876  1.0
  O  O29  1  1.000  0.573  0.372  1.0
  O  O30  1  0.752  0.752  0.021  1.0
  O  O31  1  0.752  0.750  0.228  1.0
  O  O32  1  0.742  0.742  0.517  1.0
  O  O33  1  0.749  0.742  0.733  1.0
  O  O34  1  0.743  0.246  0.473  1.0
  O  O35  1  0.748  0.250  0.269  1.0
  O  O36  1  0.746  0.257  0.777  1.0
  O  O37  1  0.748  0.252  0.981  1.0
  O  O38  1  0.500  0.074  0.125  1.0
  O  O39  1  0.500  0.082  0.622  1.0
[/CIF]
.
The material structure described by Na5Ce3Ti6Nb2O24 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(15), two equivalent O(3), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(16), two equivalent O(12), two equivalent O(4), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(14), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(13), two equivalent O(10), and two equivalent O(9) atoms. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(12), two equivalent O(16), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one O(11), two equivalent O(3), and two equivalent O(6) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(7), and two equivalent O(8) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(10), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(15), one O(2), two equivalent O(10), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, and corners with four equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. In the second Ti site, Ti(2) is bonded to one O(1), one O(15), two equivalent O(3), and two equivalent O(8) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. In the third Ti site, Ti(3) is bonded to one O(1), one O(16), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(14), two equivalent O(3), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the fifth Ti site, Ti(5) is bonded to one O(12), one O(13), two equivalent O(5), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), two equivalent O(10), and two equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(16), one O(2), two equivalent O(5), and two equivalent O(9) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and corners with four equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. In the second Nb site, Nb(2) is bonded to one O(12), one O(14), two equivalent O(4), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-29°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(2), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ce(3), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Ce(1), one Ti(2), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Ti(3), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Ti(5), and one Nb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Ce(1), one Ti(1), and one Ti(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(3), one Ce(2), one Ti(3), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Ce(2), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(4), one Ce(3), one Ti(5), and one Nb(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(4), one Ce(3), one Ti(1), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ce(1), one Ti(4), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(5), two equivalent Na(2), one Ti(5), and one Nb(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(4), one Ti(5), and one Ti(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(3), one Ti(4), and one Nb(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Ti(2) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(2), two equivalent Na(5), one Ti(3), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Ce3Ti6Nb2O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.478
_cell_length_c   15.382
_cell_angle_alpha   89.943
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.351
_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  0.500  0.508  0.125  1.0
  Na  Na1  1  0.500  0.514  0.626  1.0
  Na  Na2  1  1.000  0.006  0.373  1.0
  Na  Na3  1  0.000  0.010  0.877  1.0
  Na  Na4  1  1.000  0.979  0.625  1.0
  Ce  Ce5  1  1.000  0.992  0.125  1.0
  Ce  Ce6  1  0.500  0.491  0.371  1.0
  Ce  Ce7  1  0.500  0.496  0.879  1.0
  Ti  Ti8  1  0.500  0.003  0.002  1.0
  Ti  Ti9  1  0.500  0.001  0.248  1.0
  Ti  Ti10  1  0.500  0.997  0.497  1.0
  Ti  Ti11  1  0.000  0.502  0.251  1.0
  Ti  Ti12  1  0.000  0.501  0.754  1.0
  Ti  Ti13  1  1.000  0.503  0.001  1.0
  Nb  Nb14  1  0.500  0.001  0.744  1.0
  Nb  Nb15  1  1.000  0.495  0.507  1.0
  O  O16  1  0.500  0.916  0.373  1.0
  O  O17  1  0.500  0.919  0.878  1.0
  O  O18  1  0.248  0.750  0.228  1.0
  O  O19  1  0.258  0.742  0.517  1.0
  O  O20  1  0.251  0.742  0.733  1.0
  O  O21  1  0.248  0.752  0.021  1.0
  O  O22  1  0.257  0.246  0.473  1.0
  O  O23  1  0.252  0.250  0.269  1.0
  O  O24  1  0.254  0.257  0.777  1.0
  O  O25  1  0.252  0.252  0.981  1.0
  O  O26  1  1.000  0.418  0.125  1.0
  O  O27  1  0.000  0.408  0.628  1.0
  O  O28  1  0.000  0.576  0.876  1.0
  O  O29  1  1.000  0.573  0.372  1.0
  O  O30  1  0.752  0.752  0.021  1.0
  O  O31  1  0.752  0.750  0.228  1.0
  O  O32  1  0.742  0.742  0.517  1.0
  O  O33  1  0.749  0.742  0.733  1.0
  O  O34  1  0.743  0.246  0.473  1.0
  O  O35  1  0.748  0.250  0.269  1.0
  O  O36  1  0.746  0.257  0.777  1.0
  O  O37  1  0.748  0.252  0.981  1.0
  O  O38  1  0.500  0.074  0.125  1.0
  O  O39  1  0.500  0.082  0.622  1.0
[/CIF]
.