The material structure described by Li(FeO2)3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-48°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(5)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-48°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(5) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(5) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(5) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.140
_cell_length_c   10.557
_cell_angle_alpha   90.085
_cell_angle_beta   75.905
_cell_angle_gamma   120.032
_symmetry_Int_Tables_number   1
_cell_volume   232.135
_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
  Li  Li0  1  0.499  0.578  0.247  1.0
  Li  Li1  1  0.832  0.078  0.746  1.0
  Fe  Fe2  1  0.004  0.834  0.493  1.0
  Fe  Fe3  1  0.006  0.669  0.993  1.0
  Fe  Fe4  1  0.330  0.500  0.509  1.0
  Fe  Fe5  1  0.337  0.334  0.992  1.0
  Fe  Fe6  1  0.669  0.169  0.494  1.0
  Fe  Fe7  1  0.660  1.000  0.010  1.0
  O  O8  1  0.909  0.957  0.102  1.0
  O  O9  1  0.597  0.797  0.600  1.0
  O  O10  1  0.400  0.838  0.400  1.0
  O  O11  1  0.734  0.731  0.898  1.0
  O  O12  1  0.287  0.647  0.102  1.0
  O  O13  1  0.947  0.457  0.602  1.0
  O  O14  1  0.705  0.533  0.400  1.0
  O  O15  1  0.039  0.339  0.900  1.0
  O  O16  1  0.600  0.298  0.100  1.0
  O  O17  1  0.256  0.147  0.602  1.0
  O  O18  1  0.100  0.232  0.397  1.0
  O  O19  1  0.426  0.033  0.900  1.0
[/CIF]
.
The material structure described by Li(FeO2)3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-48°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(5)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-48°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-48°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(5) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(5) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(5) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Fe(2), one Fe(4), and one Fe(6) atom to form a mixture of corner and edge-sharing OLiFe3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.140
_cell_length_c   10.557
_cell_angle_alpha   90.085
_cell_angle_beta   75.905
_cell_angle_gamma   120.032
_symmetry_Int_Tables_number   1
_cell_volume   232.135
_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
  Li  Li0  1  0.499  0.578  0.247  1.0
  Li  Li1  1  0.832  0.078  0.746  1.0
  Fe  Fe2  1  0.004  0.834  0.493  1.0
  Fe  Fe3  1  0.006  0.669  0.993  1.0
  Fe  Fe4  1  0.330  0.500  0.509  1.0
  Fe  Fe5  1  0.337  0.334  0.992  1.0
  Fe  Fe6  1  0.669  0.169  0.494  1.0
  Fe  Fe7  1  0.660  1.000  0.010  1.0
  O  O8  1  0.909  0.957  0.102  1.0
  O  O9  1  0.597  0.797  0.600  1.0
  O  O10  1  0.400  0.838  0.400  1.0
  O  O11  1  0.734  0.731  0.898  1.0
  O  O12  1  0.287  0.647  0.102  1.0
  O  O13  1  0.947  0.457  0.602  1.0
  O  O14  1  0.705  0.533  0.400  1.0
  O  O15  1  0.039  0.339  0.900  1.0
  O  O16  1  0.600  0.298  0.100  1.0
  O  O17  1  0.256  0.147  0.602  1.0
  O  O18  1  0.100  0.232  0.397  1.0
  O  O19  1  0.426  0.033  0.900  1.0
[/CIF]
.