The material structure described by Na2Li2FeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Fe(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with four equivalent Na(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, edges with four equivalent Na(1)O6 octahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-18°. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-60°. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-82°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Li(1), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Li(1), one Li(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Li(1), one Li(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Li(1), one Li(2), and one Fe(1) atom to form distorted edge-sharing ONa3Li2Fe octahedra. is represented by the CIF card [CIF]
data_Na2Li2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.198
_cell_length_b   6.637
_cell_length_c   10.425
_cell_angle_alpha   50.406
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.072
_cell_formula_units_Z   4
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  0.974  0.246  0.497  1.0
  Na  Na1  1  0.746  0.759  0.754  1.0
  Na  Na2  1  0.526  0.246  0.997  1.0
  Na  Na3  1  0.254  0.241  0.246  1.0
  Na  Na4  1  0.246  0.241  0.746  1.0
  Na  Na5  1  0.026  0.754  0.503  1.0
  Na  Na6  1  0.474  0.754  0.003  1.0
  Na  Na7  1  0.754  0.759  0.254  1.0
  Li  Li8  1  0.915  0.270  0.201  1.0
  Li  Li9  1  0.858  0.742  0.011  1.0
  Li  Li10  1  0.642  0.742  0.511  1.0
  Li  Li11  1  0.585  0.270  0.701  1.0
  Li  Li12  1  0.085  0.730  0.799  1.0
  Li  Li13  1  0.142  0.258  0.989  1.0
  Li  Li14  1  0.358  0.258  0.489  1.0
  Li  Li15  1  0.415  0.730  0.299  1.0
  Fe  Fe16  1  0.875  0.241  0.781  1.0
  Fe  Fe17  1  0.625  0.241  0.281  1.0
  Fe  Fe18  1  0.375  0.759  0.719  1.0
  Fe  Fe19  1  0.125  0.759  0.219  1.0
  O  O20  1  0.961  0.979  0.789  1.0
  O  O21  1  0.775  0.044  0.448  1.0
  O  O22  1  0.991  0.456  0.799  1.0
  O  O23  1  0.791  0.464  0.568  1.0
  O  O24  1  0.509  0.456  0.299  1.0
  O  O25  1  0.539  0.979  0.289  1.0
  O  O26  1  0.491  0.544  0.701  1.0
  O  O27  1  0.209  0.536  0.432  1.0
  O  O28  1  0.461  0.021  0.711  1.0
  O  O29  1  0.275  0.956  0.052  1.0
  O  O30  1  0.709  0.464  0.068  1.0
  O  O31  1  0.291  0.536  0.932  1.0
  O  O32  1  0.039  0.021  0.211  1.0
  O  O33  1  0.009  0.544  0.201  1.0
  O  O34  1  0.225  0.956  0.552  1.0
  O  O35  1  0.725  0.044  0.948  1.0
[/CIF]
.
The material structure described by Na2Li2FeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Fe(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with four equivalent Na(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, edges with four equivalent Na(1)O6 octahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-18°. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-60°. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-82°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Li(1), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Li(1), one Li(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Li(1), one Li(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Li(1), one Li(2), and one Fe(1) atom to form distorted edge-sharing ONa3Li2Fe octahedra. is represented by the CIF card [CIF]
data_Na2Li2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.198
_cell_length_b   6.637
_cell_length_c   10.425
_cell_angle_alpha   50.406
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.072
_cell_formula_units_Z   4
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  0.974  0.246  0.497  1.0
  Na  Na1  1  0.746  0.759  0.754  1.0
  Na  Na2  1  0.526  0.246  0.997  1.0
  Na  Na3  1  0.254  0.241  0.246  1.0
  Na  Na4  1  0.246  0.241  0.746  1.0
  Na  Na5  1  0.026  0.754  0.503  1.0
  Na  Na6  1  0.474  0.754  0.003  1.0
  Na  Na7  1  0.754  0.759  0.254  1.0
  Li  Li8  1  0.915  0.270  0.201  1.0
  Li  Li9  1  0.858  0.742  0.011  1.0
  Li  Li10  1  0.642  0.742  0.511  1.0
  Li  Li11  1  0.585  0.270  0.701  1.0
  Li  Li12  1  0.085  0.730  0.799  1.0
  Li  Li13  1  0.142  0.258  0.989  1.0
  Li  Li14  1  0.358  0.258  0.489  1.0
  Li  Li15  1  0.415  0.730  0.299  1.0
  Fe  Fe16  1  0.875  0.241  0.781  1.0
  Fe  Fe17  1  0.625  0.241  0.281  1.0
  Fe  Fe18  1  0.375  0.759  0.719  1.0
  Fe  Fe19  1  0.125  0.759  0.219  1.0
  O  O20  1  0.961  0.979  0.789  1.0
  O  O21  1  0.775  0.044  0.448  1.0
  O  O22  1  0.991  0.456  0.799  1.0
  O  O23  1  0.791  0.464  0.568  1.0
  O  O24  1  0.509  0.456  0.299  1.0
  O  O25  1  0.539  0.979  0.289  1.0
  O  O26  1  0.491  0.544  0.701  1.0
  O  O27  1  0.209  0.536  0.432  1.0
  O  O28  1  0.461  0.021  0.711  1.0
  O  O29  1  0.275  0.956  0.052  1.0
  O  O30  1  0.709  0.464  0.068  1.0
  O  O31  1  0.291  0.536  0.932  1.0
  O  O32  1  0.039  0.021  0.211  1.0
  O  O33  1  0.009  0.544  0.201  1.0
  O  O34  1  0.225  0.956  0.552  1.0
  O  O35  1  0.725  0.044  0.948  1.0
[/CIF]
.