The compound described by LiNbFeO4 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-69°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-69°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded to one Li(2), one Nb(1), one Fe(1), and one Fe(4) atom to form corner-sharing OLiNbFe2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Nb(2), one Fe(2), and one Fe(3) atom to form corner-sharing OLiNbFe2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Fe(1), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(2), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Nb(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Nb(2), and one Fe(4) atom. is represented by the CIF file [CIF]
data_LiNbFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   8.859
_cell_length_c   6.111
_cell_angle_alpha   89.982
_cell_angle_beta   89.932
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   340.615
_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
  Li  Li0  1  0.240  0.145  0.001  1.0
  Li  Li1  1  0.760  0.645  0.497  1.0
  Li  Li2  1  0.740  0.855  0.003  1.0
  Li  Li3  1  0.260  0.355  0.500  1.0
  Nb  Nb4  1  0.537  0.498  0.995  1.0
  Nb  Nb5  1  0.963  0.002  0.504  1.0
  Nb  Nb6  1  0.037  0.502  0.003  1.0
  Nb  Nb7  1  0.463  0.998  0.498  1.0
  Fe  Fe8  1  0.250  0.750  0.750  1.0
  Fe  Fe9  1  0.750  0.250  0.750  1.0
  Fe  Fe10  1  0.750  0.250  0.250  1.0
  Fe  Fe11  1  0.250  0.750  0.250  1.0
  O  O12  1  0.497  0.281  1.000  1.0
  O  O13  1  0.036  0.779  0.500  1.0
  O  O14  1  0.964  0.279  1.000  1.0
  O  O15  1  0.503  0.781  0.500  1.0
  O  O16  1  0.997  0.719  0.000  1.0
  O  O17  1  0.536  0.221  0.500  1.0
  O  O18  1  0.464  0.721  1.000  1.0
  O  O19  1  0.003  0.219  0.500  1.0
  O  O20  1  0.749  0.504  0.224  1.0
  O  O21  1  0.251  0.004  0.727  1.0
  O  O22  1  0.749  0.504  0.770  1.0
  O  O23  1  0.252  0.004  0.272  1.0
  O  O24  1  0.249  0.496  0.774  1.0
  O  O25  1  0.751  0.996  0.276  1.0
  O  O26  1  0.249  0.496  0.228  1.0
  O  O27  1  0.751  0.996  0.730  1.0
[/CIF]
.
The compound described by LiNbFeO4 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-69°. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-69°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded to one Li(2), one Nb(1), one Fe(1), and one Fe(4) atom to form corner-sharing OLiNbFe2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Nb(2), one Fe(2), and one Fe(3) atom to form corner-sharing OLiNbFe2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Fe(1), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(2), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Nb(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Nb(2), and one Fe(4) atom. is represented by the CIF file [CIF]
data_LiNbFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   8.859
_cell_length_c   6.111
_cell_angle_alpha   89.982
_cell_angle_beta   89.932
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   340.615
_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
  Li  Li0  1  0.240  0.145  0.001  1.0
  Li  Li1  1  0.760  0.645  0.497  1.0
  Li  Li2  1  0.740  0.855  0.003  1.0
  Li  Li3  1  0.260  0.355  0.500  1.0
  Nb  Nb4  1  0.537  0.498  0.995  1.0
  Nb  Nb5  1  0.963  0.002  0.504  1.0
  Nb  Nb6  1  0.037  0.502  0.003  1.0
  Nb  Nb7  1  0.463  0.998  0.498  1.0
  Fe  Fe8  1  0.250  0.750  0.750  1.0
  Fe  Fe9  1  0.750  0.250  0.750  1.0
  Fe  Fe10  1  0.750  0.250  0.250  1.0
  Fe  Fe11  1  0.250  0.750  0.250  1.0
  O  O12  1  0.497  0.281  1.000  1.0
  O  O13  1  0.036  0.779  0.500  1.0
  O  O14  1  0.964  0.279  1.000  1.0
  O  O15  1  0.503  0.781  0.500  1.0
  O  O16  1  0.997  0.719  0.000  1.0
  O  O17  1  0.536  0.221  0.500  1.0
  O  O18  1  0.464  0.721  1.000  1.0
  O  O19  1  0.003  0.219  0.500  1.0
  O  O20  1  0.749  0.504  0.224  1.0
  O  O21  1  0.251  0.004  0.727  1.0
  O  O22  1  0.749  0.504  0.770  1.0
  O  O23  1  0.252  0.004  0.272  1.0
  O  O24  1  0.249  0.496  0.774  1.0
  O  O25  1  0.751  0.996  0.276  1.0
  O  O26  1  0.249  0.496  0.228  1.0
  O  O27  1  0.751  0.996  0.730  1.0
[/CIF]
.