The material described by Na5Li3V8O24 crystallizes in the triclinic P1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(19), one O(5), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(17), one O(20), one O(6), and one O(8) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(22), one O(23), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(2), one O(21), one O(24), and one O(4) atom. In the fifth Na site, Na(5) is bonded to one O(1), one O(17), one O(20), one O(22), one O(23), and one O(3) atom to form NaO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and edges with two equivalent Li(3)O6 octahedra. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(18), one O(19), one O(2), one O(21), one O(24), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(18), one O(19), one O(21), one O(24), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. In the third Li site, Li(3) is bonded to one O(17), one O(20), one O(22), one O(23), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra, and edges with two equivalent Na(5)O6 octahedra. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(15), one O(17), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, and corners with two equivalent V(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the second V site, V(2) is bonded to one O(10), one O(16), one O(18), and one O(2) atom to form VO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent V(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the third V site, V(3) is bonded to one O(11), one O(13), one O(19), and one O(3) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, and corners with two equivalent V(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-61°. In the fourth V site, V(4) is bonded to one O(12), one O(14), one O(20), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, and corners with two equivalent V(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the fifth V site, V(5) is bonded to one O(11), one O(13), one O(21), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the sixth V site, V(6) is bonded to one O(12), one O(14), one O(22), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the seventh V site, V(7) is bonded to one O(15), one O(23), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the eighth V site, V(8) is bonded to one O(10), one O(16), one O(24), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(4), one Li(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(4), one Li(1), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Li(2), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Na(2), one Li(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Li(2), and one V(7) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Na(2), one Li(3), and one V(8) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one V(7) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one V(2), and one V(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(2), one V(4), and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(3), one V(3), and one V(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(4), one V(4), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(3), one V(1), and one V(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(4), one V(2), and one V(8) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one Li(3), and one V(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Li(2), and one V(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Li(2), and one V(3) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one Li(3), and one V(4) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(4), one Li(1), one Li(2), and one V(5) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(5), one Li(3), and one V(6) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(5), one Li(3), and one V(7) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Na(4), one Li(1), one Li(2), and one V(8) atom. is represented by the CIF card [CIF]
data_Na5Li3V8O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.921
_cell_length_b   7.025
_cell_length_c   13.837
_cell_angle_alpha   90.679
_cell_angle_beta   100.289
_cell_angle_gamma   104.224
_symmetry_Int_Tables_number   1
_cell_volume   547.972
_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  0.106  0.712  0.856  1.0
  Na  Na1  1  0.606  0.711  0.355  1.0
  Na  Na2  1  0.395  0.289  0.645  1.0
  Na  Na3  1  0.894  0.288  0.144  1.0
  Na  Na4  1  0.792  0.085  0.542  1.0
  Li  Li5  1  0.294  0.088  0.044  1.0
  Li  Li6  1  0.706  0.912  0.956  1.0
  Li  Li7  1  0.205  0.911  0.455  1.0
  V  V8  1  0.851  0.622  0.599  1.0
  V  V9  1  0.350  0.620  0.098  1.0
  V  V10  1  0.060  0.198  0.813  1.0
  V  V11  1  0.556  0.197  0.308  1.0
  V  V12  1  0.650  0.380  0.902  1.0
  V  V13  1  0.152  0.382  0.401  1.0
  V  V14  1  0.440  0.802  0.691  1.0
  V  V15  1  0.942  0.803  0.190  1.0
  O  O16  1  0.739  0.395  0.548  1.0
  O  O17  1  0.246  0.390  0.049  1.0
  O  O18  1  0.006  0.095  0.699  1.0
  O  O19  1  0.497  0.099  0.193  1.0
  O  O20  1  0.755  0.611  0.951  1.0
  O  O21  1  0.255  0.612  0.451  1.0
  O  O22  1  0.502  0.902  0.806  1.0
  O  O23  1  0.001  0.902  0.305  1.0
  O  O24  1  0.141  0.641  0.677  1.0
  O  O25  1  0.642  0.644  0.176  1.0
  O  O26  1  0.856  0.352  0.822  1.0
  O  O27  1  0.357  0.354  0.321  1.0
  O  O28  1  0.359  0.357  0.825  1.0
  O  O29  1  0.858  0.354  0.325  1.0
  O  O30  1  0.644  0.651  0.678  1.0
  O  O31  1  0.144  0.648  0.178  1.0
  O  O32  1  0.867  0.782  0.509  1.0
  O  O33  1  0.362  0.787  0.012  1.0
  O  O34  1  0.044  0.023  0.896  1.0
  O  O35  1  0.533  0.019  0.389  1.0
  O  O36  1  0.638  0.213  0.988  1.0
  O  O37  1  0.151  0.216  0.487  1.0
  O  O38  1  0.444  0.975  0.608  1.0
  O  O39  1  0.957  0.977  0.107  1.0
[/CIF]
.
The material described by Na5Li3V8O24 crystallizes in the triclinic P1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(19), one O(5), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(17), one O(20), one O(6), and one O(8) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(22), one O(23), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(2), one O(21), one O(24), and one O(4) atom. In the fifth Na site, Na(5) is bonded to one O(1), one O(17), one O(20), one O(22), one O(23), and one O(3) atom to form NaO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and edges with two equivalent Li(3)O6 octahedra. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(18), one O(19), one O(2), one O(21), one O(24), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(18), one O(19), one O(21), one O(24), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. In the third Li site, Li(3) is bonded to one O(17), one O(20), one O(22), one O(23), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra, and edges with two equivalent Na(5)O6 octahedra. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(15), one O(17), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, and corners with two equivalent V(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the second V site, V(2) is bonded to one O(10), one O(16), one O(18), and one O(2) atom to form VO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent V(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the third V site, V(3) is bonded to one O(11), one O(13), one O(19), and one O(3) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, and corners with two equivalent V(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-61°. In the fourth V site, V(4) is bonded to one O(12), one O(14), one O(20), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, and corners with two equivalent V(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the fifth V site, V(5) is bonded to one O(11), one O(13), one O(21), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the sixth V site, V(6) is bonded to one O(12), one O(14), one O(22), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the seventh V site, V(7) is bonded to one O(15), one O(23), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the eighth V site, V(8) is bonded to one O(10), one O(16), one O(24), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(4), one Li(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(4), one Li(1), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Li(2), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Na(2), one Li(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Li(2), and one V(7) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Na(2), one Li(3), and one V(8) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one V(7) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one V(2), and one V(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(2), one V(4), and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(3), one V(3), and one V(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(4), one V(4), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(3), one V(1), and one V(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(4), one V(2), and one V(8) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one Li(3), and one V(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Li(2), and one V(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Li(2), and one V(3) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one Li(3), and one V(4) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(4), one Li(1), one Li(2), and one V(5) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(5), one Li(3), and one V(6) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(5), one Li(3), and one V(7) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Na(4), one Li(1), one Li(2), and one V(8) atom. is represented by the CIF card [CIF]
data_Na5Li3V8O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.921
_cell_length_b   7.025
_cell_length_c   13.837
_cell_angle_alpha   90.679
_cell_angle_beta   100.289
_cell_angle_gamma   104.224
_symmetry_Int_Tables_number   1
_cell_volume   547.972
_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  0.106  0.712  0.856  1.0
  Na  Na1  1  0.606  0.711  0.355  1.0
  Na  Na2  1  0.395  0.289  0.645  1.0
  Na  Na3  1  0.894  0.288  0.144  1.0
  Na  Na4  1  0.792  0.085  0.542  1.0
  Li  Li5  1  0.294  0.088  0.044  1.0
  Li  Li6  1  0.706  0.912  0.956  1.0
  Li  Li7  1  0.205  0.911  0.455  1.0
  V  V8  1  0.851  0.622  0.599  1.0
  V  V9  1  0.350  0.620  0.098  1.0
  V  V10  1  0.060  0.198  0.813  1.0
  V  V11  1  0.556  0.197  0.308  1.0
  V  V12  1  0.650  0.380  0.902  1.0
  V  V13  1  0.152  0.382  0.401  1.0
  V  V14  1  0.440  0.802  0.691  1.0
  V  V15  1  0.942  0.803  0.190  1.0
  O  O16  1  0.739  0.395  0.548  1.0
  O  O17  1  0.246  0.390  0.049  1.0
  O  O18  1  0.006  0.095  0.699  1.0
  O  O19  1  0.497  0.099  0.193  1.0
  O  O20  1  0.755  0.611  0.951  1.0
  O  O21  1  0.255  0.612  0.451  1.0
  O  O22  1  0.502  0.902  0.806  1.0
  O  O23  1  0.001  0.902  0.305  1.0
  O  O24  1  0.141  0.641  0.677  1.0
  O  O25  1  0.642  0.644  0.176  1.0
  O  O26  1  0.856  0.352  0.822  1.0
  O  O27  1  0.357  0.354  0.321  1.0
  O  O28  1  0.359  0.357  0.825  1.0
  O  O29  1  0.858  0.354  0.325  1.0
  O  O30  1  0.644  0.651  0.678  1.0
  O  O31  1  0.144  0.648  0.178  1.0
  O  O32  1  0.867  0.782  0.509  1.0
  O  O33  1  0.362  0.787  0.012  1.0
  O  O34  1  0.044  0.023  0.896  1.0
  O  O35  1  0.533  0.019  0.389  1.0
  O  O36  1  0.638  0.213  0.988  1.0
  O  O37  1  0.151  0.216  0.487  1.0
  O  O38  1  0.444  0.975  0.608  1.0
  O  O39  1  0.957  0.977  0.107  1.0
[/CIF]
.