The material structure described by Na4LiNb5O15 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(9) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. In the seventh Na site, Na(7) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(4) atoms. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(6) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(8) atoms. There are ten inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the second Nb site, Nb(2) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the third Nb site, Nb(3) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the fourth Nb site, Nb(4) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. In the fifth Nb site, Nb(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. In the sixth Nb site, Nb(6) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. In the seventh Nb site, Nb(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the eighth Nb site, Nb(8) is bonded to three equivalent O(10) and three equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the ninth Nb site, Nb(9) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the tenth Nb site, Nb(10) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(4), one Li(1), one Nb(10), and one Nb(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(5), one Li(2), one Nb(5), and one Nb(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Nb(1), and one Nb(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(7), one Nb(2), and one Nb(8) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(3), one Na(8), one Nb(3), and one Nb(9) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(4), one Na(8), one Nb(4), and one Nb(9) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Na(5), one Li(1), one Nb(10), and one Nb(5) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Na(1), one Li(2), one Nb(1), and one Nb(6) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Nb(2), and one Nb(7) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(3), one Na(7), one Nb(3), and one Nb(8) atom. is represented by the CIF file [CIF]
data_Na4LiNb5O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.655
_cell_length_b   23.655
_cell_length_c   23.655
_cell_angle_alpha   13.415
_cell_angle_beta   13.415
_cell_angle_gamma   13.415
_symmetry_Int_Tables_number   1
_cell_volume   619.787
_cell_formula_units_Z   2
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  0.645  0.645  0.645  1.0
  Na  Na1  1  0.245  0.245  0.245  1.0
  Na  Na2  1  0.845  0.845  0.845  1.0
  Na  Na3  1  0.445  0.445  0.445  1.0
  Na  Na4  1  0.045  0.045  0.045  1.0
  Na  Na5  1  0.945  0.945  0.945  1.0
  Na  Na6  1  0.545  0.545  0.545  1.0
  Na  Na7  1  0.145  0.145  0.145  1.0
  Li  Li8  1  0.742  0.742  0.742  1.0
  Li  Li9  1  0.342  0.342  0.342  1.0
  Nb  Nb10  1  0.297  0.297  0.297  1.0
  Nb  Nb11  1  0.897  0.897  0.897  1.0
  Nb  Nb12  1  0.496  0.496  0.496  1.0
  Nb  Nb13  1  0.096  0.096  0.096  1.0
  Nb  Nb14  1  0.697  0.697  0.697  1.0
  Nb  Nb15  1  0.997  0.997  0.997  1.0
  Nb  Nb16  1  0.597  0.597  0.597  1.0
  Nb  Nb17  1  0.197  0.197  0.197  1.0
  Nb  Nb18  1  0.796  0.796  0.796  1.0
  Nb  Nb19  1  0.397  0.397  0.397  1.0
  O  O20  1  0.349  0.152  0.749  1.0
  O  O21  1  0.949  0.752  0.350  1.0
  O  O22  1  0.524  0.381  0.947  1.0
  O  O23  1  0.124  0.980  0.546  1.0
  O  O24  1  0.723  0.580  0.146  1.0
  O  O25  1  0.152  0.749  0.349  1.0
  O  O26  1  0.752  0.350  0.949  1.0
  O  O27  1  0.381  0.947  0.524  1.0
  O  O28  1  0.980  0.546  0.124  1.0
  O  O29  1  0.580  0.146  0.723  1.0
  O  O30  1  0.749  0.349  0.152  1.0
  O  O31  1  0.350  0.949  0.752  1.0
  O  O32  1  0.947  0.524  0.381  1.0
  O  O33  1  0.546  0.124  0.980  1.0
  O  O34  1  0.146  0.723  0.580  1.0
  O  O35  1  0.026  0.444  0.879  1.0
  O  O36  1  0.628  0.045  0.479  1.0
  O  O37  1  0.225  0.647  0.080  1.0
  O  O38  1  0.824  0.247  0.680  1.0
  O  O39  1  0.424  0.846  0.280  1.0
  O  O40  1  0.444  0.879  0.026  1.0
  O  O41  1  0.045  0.479  0.628  1.0
  O  O42  1  0.647  0.080  0.225  1.0
  O  O43  1  0.247  0.680  0.824  1.0
  O  O44  1  0.846  0.280  0.424  1.0
  O  O45  1  0.879  0.026  0.444  1.0
  O  O46  1  0.479  0.628  0.045  1.0
  O  O47  1  0.080  0.225  0.647  1.0
  O  O48  1  0.680  0.824  0.247  1.0
  O  O49  1  0.280  0.424  0.846  1.0
[/CIF]
.
The material structure described by Na4LiNb5O15 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(9) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. In the seventh Na site, Na(7) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(4) atoms. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(6) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(8) atoms. There are ten inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the second Nb site, Nb(2) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the third Nb site, Nb(3) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the fourth Nb site, Nb(4) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. In the fifth Nb site, Nb(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. In the sixth Nb site, Nb(6) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. In the seventh Nb site, Nb(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the eighth Nb site, Nb(8) is bonded to three equivalent O(10) and three equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the ninth Nb site, Nb(9) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the tenth Nb site, Nb(10) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(4), one Li(1), one Nb(10), and one Nb(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(5), one Li(2), one Nb(5), and one Nb(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Nb(1), and one Nb(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(7), one Nb(2), and one Nb(8) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(3), one Na(8), one Nb(3), and one Nb(9) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(4), one Na(8), one Nb(4), and one Nb(9) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Na(5), one Li(1), one Nb(10), and one Nb(5) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Na(1), one Li(2), one Nb(1), and one Nb(6) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Nb(2), and one Nb(7) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(3), one Na(7), one Nb(3), and one Nb(8) atom. is represented by the CIF file [CIF]
data_Na4LiNb5O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.655
_cell_length_b   23.655
_cell_length_c   23.655
_cell_angle_alpha   13.415
_cell_angle_beta   13.415
_cell_angle_gamma   13.415
_symmetry_Int_Tables_number   1
_cell_volume   619.787
_cell_formula_units_Z   2
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  0.645  0.645  0.645  1.0
  Na  Na1  1  0.245  0.245  0.245  1.0
  Na  Na2  1  0.845  0.845  0.845  1.0
  Na  Na3  1  0.445  0.445  0.445  1.0
  Na  Na4  1  0.045  0.045  0.045  1.0
  Na  Na5  1  0.945  0.945  0.945  1.0
  Na  Na6  1  0.545  0.545  0.545  1.0
  Na  Na7  1  0.145  0.145  0.145  1.0
  Li  Li8  1  0.742  0.742  0.742  1.0
  Li  Li9  1  0.342  0.342  0.342  1.0
  Nb  Nb10  1  0.297  0.297  0.297  1.0
  Nb  Nb11  1  0.897  0.897  0.897  1.0
  Nb  Nb12  1  0.496  0.496  0.496  1.0
  Nb  Nb13  1  0.096  0.096  0.096  1.0
  Nb  Nb14  1  0.697  0.697  0.697  1.0
  Nb  Nb15  1  0.997  0.997  0.997  1.0
  Nb  Nb16  1  0.597  0.597  0.597  1.0
  Nb  Nb17  1  0.197  0.197  0.197  1.0
  Nb  Nb18  1  0.796  0.796  0.796  1.0
  Nb  Nb19  1  0.397  0.397  0.397  1.0
  O  O20  1  0.349  0.152  0.749  1.0
  O  O21  1  0.949  0.752  0.350  1.0
  O  O22  1  0.524  0.381  0.947  1.0
  O  O23  1  0.124  0.980  0.546  1.0
  O  O24  1  0.723  0.580  0.146  1.0
  O  O25  1  0.152  0.749  0.349  1.0
  O  O26  1  0.752  0.350  0.949  1.0
  O  O27  1  0.381  0.947  0.524  1.0
  O  O28  1  0.980  0.546  0.124  1.0
  O  O29  1  0.580  0.146  0.723  1.0
  O  O30  1  0.749  0.349  0.152  1.0
  O  O31  1  0.350  0.949  0.752  1.0
  O  O32  1  0.947  0.524  0.381  1.0
  O  O33  1  0.546  0.124  0.980  1.0
  O  O34  1  0.146  0.723  0.580  1.0
  O  O35  1  0.026  0.444  0.879  1.0
  O  O36  1  0.628  0.045  0.479  1.0
  O  O37  1  0.225  0.647  0.080  1.0
  O  O38  1  0.824  0.247  0.680  1.0
  O  O39  1  0.424  0.846  0.280  1.0
  O  O40  1  0.444  0.879  0.026  1.0
  O  O41  1  0.045  0.479  0.628  1.0
  O  O42  1  0.647  0.080  0.225  1.0
  O  O43  1  0.247  0.680  0.824  1.0
  O  O44  1  0.846  0.280  0.424  1.0
  O  O45  1  0.879  0.026  0.444  1.0
  O  O46  1  0.479  0.628  0.045  1.0
  O  O47  1  0.080  0.225  0.647  1.0
  O  O48  1  0.680  0.824  0.247  1.0
  O  O49  1  0.280  0.424  0.846  1.0
[/CIF]
.