The structure described by Li7Fe(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(1), one F(2), and one F(4) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  an edgeedge with one Li(12)O2F2 trigonal pyramid,  an edgeedge with one Li(4)O2F2 trigonal pyramid, and  an edgeedge with one Li(5)O2F2 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(3), one O(6), one F(1), and one F(4) atom. In the fourth Li site, Li(4) is bonded to one O(2), one O(5), one F(2), and one F(3) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(5)O2F2 trigonal pyramid, corners with two equivalent Li(12)O2F2 trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(6), one O(8), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid, corners with two equivalent Li(12)O2F2 trigonal pyramids,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(12)O2F2 trigonal pyramid, corners with two equivalent Li(4)O2F2 trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one F(4) atom. In the ninth Li site, Li(9) is bonded to one O(3), one O(7), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(5)O2F2 trigonal pyramid. In the tenth Li site, Li(10) is bonded to one O(2), one O(4), one O(7), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. In the eleventh Li site, Li(11) 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 Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(12)O2F2 trigonal pyramid, corners with two equivalent Li(5)O2F2 trigonal pyramids,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(5), one O(6), one F(2), and one F(4) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(4)O2F2 trigonal pyramids, corners with two equivalent Li(5)O2F2 trigonal pyramids, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(7), one O(8), and one F(3) atom to form LiO3F tetrahedra that share corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid,  a cornercorner with one Li(5)O2F2 trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the fourteenth Li site, Li(14) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(8), and one F(3) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one F(3) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(4), one Li(8), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(12), one Li(4), one Li(6), one Li(8), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), one Li(7), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), one Li(9), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one Fe(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(5), and one Li(9) atom to form a mixture of distorted corner and edge-sharing FLi4 trigonal pyramids. In the second F site, F(2) is bonded to one Li(1), one Li(12), one Li(4), and one Li(5) atom to form distorted edge-sharing FLi4 trigonal pyramids. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one Fe(1) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(12), one Li(3), and one Li(8) atom to form a mixture of distorted corner and edge-sharing FLi4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.527
_cell_length_b   5.937
_cell_length_c   10.121
_cell_angle_alpha   84.506
_cell_angle_beta   76.152
_cell_angle_gamma   118.232
_symmetry_Int_Tables_number   1
_cell_volume   275.489
_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  0.096  0.072  0.227  1.0
  Li  Li1  1  0.102  0.605  0.751  1.0
  Li  Li2  1  0.478  0.943  0.382  1.0
  Li  Li3  1  0.526  0.558  0.119  1.0
  Li  Li4  1  0.285  0.262  0.442  1.0
  Li  Li5  1  0.205  0.669  0.956  1.0
  Li  Li6  1  0.329  0.344  0.676  1.0
  Li  Li7  1  0.746  0.278  0.058  1.0
  Li  Li8  1  0.756  0.788  0.541  1.0
  Li  Li9  1  0.484  0.475  0.878  1.0
  Li  Li10  1  0.500  0.005  0.615  1.0
  Li  Li11  1  0.906  0.469  0.268  1.0
  Li  Li12  1  0.907  0.880  0.750  1.0
  Li  Li13  1  0.670  0.149  0.824  1.0
  Fe  Fe14  1  0.078  0.018  0.977  1.0
  Fe  Fe15  1  0.951  0.455  0.544  1.0
  O  O16  1  0.248  0.947  0.803  1.0
  O  O17  1  0.395  0.226  0.039  1.0
  O  O18  1  0.347  0.672  0.554  1.0
  O  O19  1  0.065  0.329  0.888  1.0
  O  O20  1  0.918  0.675  0.100  1.0
  O  O21  1  0.641  0.310  0.464  1.0
  O  O22  1  0.751  0.537  0.702  1.0
  O  O23  1  0.910  0.123  0.620  1.0
  F  F24  1  0.108  0.901  0.389  1.0
  F  F25  1  0.229  0.431  0.292  1.0
  F  F26  1  0.601  0.795  0.934  1.0
  F  F27  1  0.767  0.086  0.207  1.0
[/CIF]
.
The structure described by Li7Fe(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(1), one F(2), and one F(4) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  an edgeedge with one Li(12)O2F2 trigonal pyramid,  an edgeedge with one Li(4)O2F2 trigonal pyramid, and  an edgeedge with one Li(5)O2F2 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(3), one O(6), one F(1), and one F(4) atom. In the fourth Li site, Li(4) is bonded to one O(2), one O(5), one F(2), and one F(3) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(5)O2F2 trigonal pyramid, corners with two equivalent Li(12)O2F2 trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(6), one O(8), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid, corners with two equivalent Li(12)O2F2 trigonal pyramids,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(12)O2F2 trigonal pyramid, corners with two equivalent Li(4)O2F2 trigonal pyramids,  an edgeedge with one Li(10)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one F(4) atom. In the ninth Li site, Li(9) is bonded to one O(3), one O(7), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(5)O2F2 trigonal pyramid. In the tenth Li site, Li(10) is bonded to one O(2), one O(4), one O(7), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(4)O2F2 trigonal pyramid. In the eleventh Li site, Li(11) 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 Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(12)O2F2 trigonal pyramid, corners with two equivalent Li(5)O2F2 trigonal pyramids,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(5), one O(6), one F(2), and one F(4) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(4)O2F2 trigonal pyramids, corners with two equivalent Li(5)O2F2 trigonal pyramids, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(7), one O(8), and one F(3) atom to form LiO3F tetrahedra that share corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O2F2 trigonal pyramid,  a cornercorner with one Li(5)O2F2 trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the fourteenth Li site, Li(14) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(8), and one F(3) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one F(3) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(4), one Li(8), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(12), one Li(4), one Li(6), one Li(8), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), one Li(7), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), one Li(9), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one Fe(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(5), and one Li(9) atom to form a mixture of distorted corner and edge-sharing FLi4 trigonal pyramids. In the second F site, F(2) is bonded to one Li(1), one Li(12), one Li(4), and one Li(5) atom to form distorted edge-sharing FLi4 trigonal pyramids. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one Fe(1) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(12), one Li(3), and one Li(8) atom to form a mixture of distorted corner and edge-sharing FLi4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.527
_cell_length_b   5.937
_cell_length_c   10.121
_cell_angle_alpha   84.506
_cell_angle_beta   76.152
_cell_angle_gamma   118.232
_symmetry_Int_Tables_number   1
_cell_volume   275.489
_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  0.096  0.072  0.227  1.0
  Li  Li1  1  0.102  0.605  0.751  1.0
  Li  Li2  1  0.478  0.943  0.382  1.0
  Li  Li3  1  0.526  0.558  0.119  1.0
  Li  Li4  1  0.285  0.262  0.442  1.0
  Li  Li5  1  0.205  0.669  0.956  1.0
  Li  Li6  1  0.329  0.344  0.676  1.0
  Li  Li7  1  0.746  0.278  0.058  1.0
  Li  Li8  1  0.756  0.788  0.541  1.0
  Li  Li9  1  0.484  0.475  0.878  1.0
  Li  Li10  1  0.500  0.005  0.615  1.0
  Li  Li11  1  0.906  0.469  0.268  1.0
  Li  Li12  1  0.907  0.880  0.750  1.0
  Li  Li13  1  0.670  0.149  0.824  1.0
  Fe  Fe14  1  0.078  0.018  0.977  1.0
  Fe  Fe15  1  0.951  0.455  0.544  1.0
  O  O16  1  0.248  0.947  0.803  1.0
  O  O17  1  0.395  0.226  0.039  1.0
  O  O18  1  0.347  0.672  0.554  1.0
  O  O19  1  0.065  0.329  0.888  1.0
  O  O20  1  0.918  0.675  0.100  1.0
  O  O21  1  0.641  0.310  0.464  1.0
  O  O22  1  0.751  0.537  0.702  1.0
  O  O23  1  0.910  0.123  0.620  1.0
  F  F24  1  0.108  0.901  0.389  1.0
  F  F25  1  0.229  0.431  0.292  1.0
  F  F26  1  0.601  0.795  0.934  1.0
  F  F27  1  0.767  0.086  0.207  1.0
[/CIF]
.