The material described by Li2FeO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(5)O2F4 octahedra, and edges with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form FeO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Li(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 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 5-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra,  an edgeedge with one F(1)Li5Fe octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Fe(2) atom to form OLi5Fe octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra, edges with four equivalent F(1)Li5Fe octahedra, and edges with four equivalent F(2)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra,  an edgeedge with one F(1)Li5Fe octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with four equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra,  an edgeedge with one F(1)Li5Fe octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with four equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Fe(2) atom to form FLi5Fe octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one F(1)Li5Fe octahedra, edges with four equivalent O(2)Li5Fe octahedra, and edges with four equivalent F(2)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Fe(2) atom to form FLi5Fe octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(2)Li5Fe octahedra, and edges with four equivalent F(1)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   9.869
_cell_angle_alpha   85.060
_cell_angle_beta   85.060
_cell_angle_gamma   120.140
_symmetry_Int_Tables_number   1
_cell_volume   224.152
_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  0.834  0.653  0.247  1.0
  Li  Li1  1  0.990  0.483  0.749  1.0
  Li  Li2  1  0.909  0.091  0.000  1.0
  Li  Li3  1  0.347  0.166  0.753  1.0
  Li  Li4  1  0.517  0.010  0.251  1.0
  Li  Li5  1  0.663  0.857  0.757  1.0
  Li  Li6  1  0.257  0.743  0.000  1.0
  Li  Li7  1  0.143  0.337  0.243  1.0
  Fe  Fe8  1  0.748  0.252  0.500  1.0
  Fe  Fe9  1  0.611  0.389  0.000  1.0
  Fe  Fe10  1  0.415  0.585  0.500  1.0
  Fe  Fe11  1  0.081  0.919  0.500  1.0
  O  O12  1  0.711  0.548  0.615  1.0
  O  O13  1  0.867  0.379  0.120  1.0
  O  O14  1  0.786  0.956  0.384  1.0
  O  O15  1  0.452  0.289  0.385  1.0
  O  O16  1  0.621  0.133  0.880  1.0
  O  O17  1  0.375  0.878  0.617  1.0
  O  O18  1  0.122  0.625  0.383  1.0
  O  O19  1  0.044  0.214  0.616  1.0
  F  F20  1  0.949  0.789  0.878  1.0
  F  F21  1  0.540  0.693  0.119  1.0
  F  F22  1  0.211  0.051  0.122  1.0
  F  F23  1  0.307  0.460  0.881  1.0
[/CIF]
.
The material described by Li2FeO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(5)O2F4 octahedra, and edges with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O2F4 octahedra,  a cornercorner with one Li(5)O2F4 octahedra,  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(3)O2F4 octahedra,  an edgeedge with one Li(5)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form FeO2F4 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Li(3)O2F4 octahedra, and edges with three equivalent Li(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 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 5-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra,  an edgeedge with one F(1)Li5Fe octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Fe(2) atom to form OLi5Fe octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra, edges with four equivalent F(1)Li5Fe octahedra, and edges with four equivalent F(2)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra,  an edgeedge with one F(1)Li5Fe octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with four equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(2)Li5Fe octahedra,  an edgeedge with one F(1)Li5Fe octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with four equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Fe(2) atom to form FLi5Fe octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one F(1)Li5Fe octahedra, edges with four equivalent O(2)Li5Fe octahedra, and edges with four equivalent F(2)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Fe(2) atom to form FLi5Fe octahedra that share  a cornercorner with one O(1)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(2)Li5Fe octahedra,  a cornercorner with one F(1)Li5Fe octahedra,  a cornercorner with one F(2)Li5Fe octahedra,  an edgeedge with one O(1)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one F(2)Li5Fe octahedra, edges with four equivalent O(2)Li5Fe octahedra, and edges with four equivalent F(1)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   9.869
_cell_angle_alpha   85.060
_cell_angle_beta   85.060
_cell_angle_gamma   120.140
_symmetry_Int_Tables_number   1
_cell_volume   224.152
_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  0.834  0.653  0.247  1.0
  Li  Li1  1  0.990  0.483  0.749  1.0
  Li  Li2  1  0.909  0.091  0.000  1.0
  Li  Li3  1  0.347  0.166  0.753  1.0
  Li  Li4  1  0.517  0.010  0.251  1.0
  Li  Li5  1  0.663  0.857  0.757  1.0
  Li  Li6  1  0.257  0.743  0.000  1.0
  Li  Li7  1  0.143  0.337  0.243  1.0
  Fe  Fe8  1  0.748  0.252  0.500  1.0
  Fe  Fe9  1  0.611  0.389  0.000  1.0
  Fe  Fe10  1  0.415  0.585  0.500  1.0
  Fe  Fe11  1  0.081  0.919  0.500  1.0
  O  O12  1  0.711  0.548  0.615  1.0
  O  O13  1  0.867  0.379  0.120  1.0
  O  O14  1  0.786  0.956  0.384  1.0
  O  O15  1  0.452  0.289  0.385  1.0
  O  O16  1  0.621  0.133  0.880  1.0
  O  O17  1  0.375  0.878  0.617  1.0
  O  O18  1  0.122  0.625  0.383  1.0
  O  O19  1  0.044  0.214  0.616  1.0
  F  F20  1  0.949  0.789  0.878  1.0
  F  F21  1  0.540  0.693  0.119  1.0
  F  F22  1  0.211  0.051  0.122  1.0
  F  F23  1  0.307  0.460  0.881  1.0
[/CIF]
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