The material described by LiFeO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form OLi2Fe4 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(5)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(5)Li4Fe2 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(2)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form OLi2Fe4 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(2)Li2Fe4 octahedra, edges with two equivalent O(5)Li4Fe2 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(1)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(2)Li2Fe4 octahedra,  an edgeedge with one O(2)Li2Fe4 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(5)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra, edges with three equivalent O(1)Li2Fe4 octahedra, edges with three equivalent O(2)Li2Fe4 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(5)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and one Fe(3) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(1)Li2Fe4 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(2)Li2Fe4 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. is represented by the CIF file [CIF]
data_LiFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   5.179
_cell_length_c   7.961
_cell_angle_alpha   71.125
_cell_angle_beta   71.539
_cell_angle_gamma   79.836
_symmetry_Int_Tables_number   1
_cell_volume   189.922
_cell_formula_units_Z   5
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  0.217  0.499  0.586  1.0
  Li  Li1  1  0.389  0.487  0.223  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.611  0.513  0.777  1.0
  Li  Li4  1  0.783  0.501  0.414  1.0
  Fe  Fe5  1  0.099  0.991  0.315  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.689  0.998  0.111  1.0
  Fe  Fe8  1  0.311  0.002  0.889  1.0
  Fe  Fe9  1  0.901  0.009  0.685  1.0
  O  O10  1  0.047  0.760  0.138  1.0
  O  O11  1  0.337  0.233  0.056  1.0
  O  O12  1  0.136  0.233  0.456  1.0
  O  O13  1  0.229  0.751  0.769  1.0
  O  O14  1  0.452  0.767  0.335  1.0
  O  O15  1  0.548  0.233  0.665  1.0
  O  O16  1  0.771  0.249  0.231  1.0
  O  O17  1  0.864  0.767  0.544  1.0
  O  O18  1  0.663  0.767  0.944  1.0
  O  O19  1  0.953  0.240  0.862  1.0
[/CIF]
.
The material described by LiFeO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form OLi2Fe4 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(5)Li4Fe2 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(5)Li4Fe2 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(2)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form OLi2Fe4 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(2)Li2Fe4 octahedra, edges with two equivalent O(5)Li4Fe2 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(1)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(2)Li2Fe4 octahedra,  an edgeedge with one O(2)Li2Fe4 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(5)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li2Fe4 octahedra,  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra, edges with three equivalent O(1)Li2Fe4 octahedra, edges with three equivalent O(2)Li2Fe4 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(5)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and one Fe(3) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(1)Li2Fe4 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(2)Li2Fe4 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with four equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. is represented by the CIF file [CIF]
data_LiFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   5.179
_cell_length_c   7.961
_cell_angle_alpha   71.125
_cell_angle_beta   71.539
_cell_angle_gamma   79.836
_symmetry_Int_Tables_number   1
_cell_volume   189.922
_cell_formula_units_Z   5
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  0.217  0.499  0.586  1.0
  Li  Li1  1  0.389  0.487  0.223  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.611  0.513  0.777  1.0
  Li  Li4  1  0.783  0.501  0.414  1.0
  Fe  Fe5  1  0.099  0.991  0.315  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.689  0.998  0.111  1.0
  Fe  Fe8  1  0.311  0.002  0.889  1.0
  Fe  Fe9  1  0.901  0.009  0.685  1.0
  O  O10  1  0.047  0.760  0.138  1.0
  O  O11  1  0.337  0.233  0.056  1.0
  O  O12  1  0.136  0.233  0.456  1.0
  O  O13  1  0.229  0.751  0.769  1.0
  O  O14  1  0.452  0.767  0.335  1.0
  O  O15  1  0.548  0.233  0.665  1.0
  O  O16  1  0.771  0.249  0.231  1.0
  O  O17  1  0.864  0.767  0.544  1.0
  O  O18  1  0.663  0.767  0.944  1.0
  O  O19  1  0.953  0.240  0.862  1.0
[/CIF]
.