The compound described by Na8Li9(FeO4)4 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(13), one O(14), one O(15), one O(3), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, edges with two equivalent Na(2)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(13), one O(14), one O(16), one O(2), one O(3), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(4), one O(6), one O(7), and one O(8) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(9) atom. In the fifth Na site, Na(5) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom. In the seventh Na site, Na(7) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(15), one O(16), one O(7), and one O(8) atom. In the eighth Na site, Na(8) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(2), and one O(9) atom. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(16), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-51°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the fourth Li site, Li(4) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(7), and one O(8) atom. In the sixth Li site, Li(6) is bonded to one O(10), one O(13), one O(14), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(5)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-41°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(12), and one O(15) atom to form LiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(5)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-35°. In the eighth Li site, Li(8) is bonded to one O(11), one O(12), one O(16), and one O(2) atom to form LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-44°. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(14), and one O(2) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. In the second Fe site, Fe(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(15), and one O(16) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(4), one Na(8), one Li(7), one Li(9), and one Fe(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(2), one Na(4), one Na(8), one Li(2), one Li(8), one Li(9), and one Fe(1) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(4), one Li(1), one Li(3), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing ONa3Li2Fe pentagonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(3), one Li(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(4), one Na(5), one Na(6), one Li(1), one Li(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(3), one Na(5), one Na(6), one Li(2), one Li(4), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(3), one Na(5), one Na(7), one Li(5), one Li(6), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Na(3), one Na(6), one Na(7), one Li(3), one Li(5), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing ONa3Li2Fe octahedra. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(4), one Na(6), one Na(8), one Li(3), one Li(4), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(4), one Na(5), one Na(8), one Li(4), one Li(6), and one Fe(3) atom. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Na(5), one Na(6), one Na(8), one Li(5), one Li(7), one Li(8), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Na(5), one Na(6), one Na(7), one Li(7), one Li(8), one Li(9), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded to one Na(1), one Na(2), one Na(8), one Li(5), one Li(6), and one Fe(4) atom to form distorted corner-sharing ONa3Li2Fe pentagonal pyramids. The corner-sharing octahedral tilt angles are 55°. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(7), one Li(6), one Li(9), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(7), one Li(1), one Li(7), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Na(2), one Na(3), one Na(7), one Li(1), one Li(2), one Li(8), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na8Li9(FeO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.648
_cell_length_b   8.041
_cell_length_c   8.256
_cell_angle_alpha   89.825
_cell_angle_beta   89.113
_cell_angle_gamma   89.679
_symmetry_Int_Tables_number   1
_cell_volume   441.238
_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  0.745  0.497  0.988  1.0
  Na  Na1  1  0.252  0.496  0.025  1.0
  Na  Na2  1  0.990  0.743  0.251  1.0
  Na  Na3  1  0.493  0.246  0.251  1.0
  Na  Na4  1  0.238  0.999  0.509  1.0
  Na  Na5  1  0.758  0.003  0.475  1.0
  Na  Na6  1  0.532  0.737  0.736  1.0
  Na  Na7  1  0.973  0.275  0.748  1.0
  Li  Li8  1  0.520  0.790  0.084  1.0
  Li  Li9  1  0.250  0.991  0.156  1.0
  Li  Li10  1  0.755  0.486  0.363  1.0
  Li  Li11  1  0.024  0.286  0.411  1.0
  Li  Li12  1  0.979  0.707  0.582  1.0
  Li  Li13  1  0.250  0.511  0.640  1.0
  Li  Li14  1  0.745  0.014  0.861  1.0
  Li  Li15  1  0.260  0.022  0.849  1.0
  Li  Li16  1  0.495  0.233  0.918  1.0
  Fe  Fe17  1  0.984  0.216  0.123  1.0
  Fe  Fe18  1  0.486  0.719  0.375  1.0
  Fe  Fe19  1  0.507  0.277  0.626  1.0
  Fe  Fe20  1  0.012  0.776  0.876  1.0
  O  O21  1  0.759  0.209  0.991  1.0
  O  O22  1  0.243  0.193  0.017  1.0
  O  O23  1  0.513  0.553  0.223  1.0
  O  O24  1  0.976  0.430  0.217  1.0
  O  O25  1  0.476  0.930  0.289  1.0
  O  O26  1  0.020  0.058  0.291  1.0
  O  O27  1  0.252  0.704  0.493  1.0
  O  O28  1  0.738  0.710  0.465  1.0
  O  O29  1  0.743  0.292  0.509  1.0
  O  O30  1  0.254  0.289  0.545  1.0
  O  O31  1  0.006  0.954  0.736  1.0
  O  O32  1  0.509  0.062  0.720  1.0
  O  O33  1  0.027  0.569  0.790  1.0
  O  O34  1  0.488  0.445  0.775  1.0
  O  O35  1  0.757  0.787  0.956  1.0
  O  O36  1  0.250  0.806  0.985  1.0
[/CIF]
.
The compound described by Na8Li9(FeO4)4 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(13), one O(14), one O(15), one O(3), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, edges with two equivalent Na(2)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(13), one O(14), one O(16), one O(2), one O(3), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(4), one O(6), one O(7), and one O(8) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(9) atom. In the fifth Na site, Na(5) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom. In the seventh Na site, Na(7) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(15), one O(16), one O(7), and one O(8) atom. In the eighth Na site, Na(8) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(2), and one O(9) atom. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(16), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-51°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the fourth Li site, Li(4) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(7), and one O(8) atom. In the sixth Li site, Li(6) is bonded to one O(10), one O(13), one O(14), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(5)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-41°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(12), and one O(15) atom to form LiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(5)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-35°. In the eighth Li site, Li(8) is bonded to one O(11), one O(12), one O(16), and one O(2) atom to form LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-44°. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(14), and one O(2) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. In the second Fe site, Fe(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(15), and one O(16) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(4), one Na(8), one Li(7), one Li(9), and one Fe(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(2), one Na(4), one Na(8), one Li(2), one Li(8), one Li(9), and one Fe(1) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(4), one Li(1), one Li(3), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing ONa3Li2Fe pentagonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(3), one Li(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(4), one Na(5), one Na(6), one Li(1), one Li(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(3), one Na(5), one Na(6), one Li(2), one Li(4), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(3), one Na(5), one Na(7), one Li(5), one Li(6), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Na(3), one Na(6), one Na(7), one Li(3), one Li(5), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing ONa3Li2Fe octahedra. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(4), one Na(6), one Na(8), one Li(3), one Li(4), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(4), one Na(5), one Na(8), one Li(4), one Li(6), and one Fe(3) atom. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Na(5), one Na(6), one Na(8), one Li(5), one Li(7), one Li(8), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Na(5), one Na(6), one Na(7), one Li(7), one Li(8), one Li(9), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded to one Na(1), one Na(2), one Na(8), one Li(5), one Li(6), and one Fe(4) atom to form distorted corner-sharing ONa3Li2Fe pentagonal pyramids. The corner-sharing octahedral tilt angles are 55°. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(7), one Li(6), one Li(9), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(7), one Li(1), one Li(7), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Na(2), one Na(3), one Na(7), one Li(1), one Li(2), one Li(8), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na8Li9(FeO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.648
_cell_length_b   8.041
_cell_length_c   8.256
_cell_angle_alpha   89.825
_cell_angle_beta   89.113
_cell_angle_gamma   89.679
_symmetry_Int_Tables_number   1
_cell_volume   441.238
_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  0.745  0.497  0.988  1.0
  Na  Na1  1  0.252  0.496  0.025  1.0
  Na  Na2  1  0.990  0.743  0.251  1.0
  Na  Na3  1  0.493  0.246  0.251  1.0
  Na  Na4  1  0.238  0.999  0.509  1.0
  Na  Na5  1  0.758  0.003  0.475  1.0
  Na  Na6  1  0.532  0.737  0.736  1.0
  Na  Na7  1  0.973  0.275  0.748  1.0
  Li  Li8  1  0.520  0.790  0.084  1.0
  Li  Li9  1  0.250  0.991  0.156  1.0
  Li  Li10  1  0.755  0.486  0.363  1.0
  Li  Li11  1  0.024  0.286  0.411  1.0
  Li  Li12  1  0.979  0.707  0.582  1.0
  Li  Li13  1  0.250  0.511  0.640  1.0
  Li  Li14  1  0.745  0.014  0.861  1.0
  Li  Li15  1  0.260  0.022  0.849  1.0
  Li  Li16  1  0.495  0.233  0.918  1.0
  Fe  Fe17  1  0.984  0.216  0.123  1.0
  Fe  Fe18  1  0.486  0.719  0.375  1.0
  Fe  Fe19  1  0.507  0.277  0.626  1.0
  Fe  Fe20  1  0.012  0.776  0.876  1.0
  O  O21  1  0.759  0.209  0.991  1.0
  O  O22  1  0.243  0.193  0.017  1.0
  O  O23  1  0.513  0.553  0.223  1.0
  O  O24  1  0.976  0.430  0.217  1.0
  O  O25  1  0.476  0.930  0.289  1.0
  O  O26  1  0.020  0.058  0.291  1.0
  O  O27  1  0.252  0.704  0.493  1.0
  O  O28  1  0.738  0.710  0.465  1.0
  O  O29  1  0.743  0.292  0.509  1.0
  O  O30  1  0.254  0.289  0.545  1.0
  O  O31  1  0.006  0.954  0.736  1.0
  O  O32  1  0.509  0.062  0.720  1.0
  O  O33  1  0.027  0.569  0.790  1.0
  O  O34  1  0.488  0.445  0.775  1.0
  O  O35  1  0.757  0.787  0.956  1.0
  O  O36  1  0.250  0.806  0.985  1.0
[/CIF]
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