The crystal structure described by Li3Fe10O7F9 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(3), one F(4), and one F(8) atom to form LiOF3 tetrahedra that share  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(10)O3F3 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra, corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)OF5 octahedra, and corners with three equivalent Fe(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second Li site, Li(2) is bonded to one O(7), one F(2), one F(5), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Fe(1)O3F3 octahedra,  a cornercorner with one Fe(5)O3F3 octahedra,  a cornercorner with one Fe(6)OF5 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, and corners with three equivalent Fe(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(6), and one F(9) atom to form LiO3F3 octahedra that share  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, edges with two equivalent Fe(8)O3F3 octahedra, edges with two equivalent Fe(9)O4F2 octahedra, and edges with two equivalent Fe(4)O5F octahedra. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(7) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(9)O4F2 octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(9) atom to form FeO2F4 octahedra that share corners with three equivalent Fe(8)O3F3 octahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(10)O3F3 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form FeO4F2 octahedra that share corners with three equivalent Fe(4)O5F octahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, edges with two equivalent Fe(2)O2F4 octahedra, and edges with two equivalent Fe(10)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(6) atom to form FeO5F octahedra that share corners with three equivalent Fe(5)O3F3 octahedra, corners with three equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(3), one O(6), one F(6), one F(7), and one F(8) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(4)O5F octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, edges with two equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the sixth Fe site, Fe(6) is bonded to one O(6), one F(1), one F(4), one F(6), one F(7), and one F(8) atom to form FeOF5 octahedra that share corners with three equivalent Fe(8)O3F3 octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(7), one F(2), one F(4), one F(5), and one F(8) atom to form FeO2F4 octahedra that share corners with three equivalent Li(1)OF3 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(6)OF5 octahedra. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(4), one O(6), one F(1), one F(6), and one F(9) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(2)O2F4 octahedra, corners with three equivalent Fe(6)OF5 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Fe(9)O4F2 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the ninth Fe site, Fe(9) is bonded to one O(2), one O(3), one O(5), one O(6), one F(1), and one F(9) atom to form FeO4F2 octahedra that share corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(10)O3F3 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the tenth Fe site, Fe(10) is bonded to one O(2), one O(5), one O(7), one F(3), one F(5), and one F(9) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(9)O4F2 octahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(2)O2F4 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(5), and one Fe(7) atom to form OLiFe3 tetrahedra that share  a cornercorner with one F(1)LiFe4 square pyramid,  a cornercorner with one F(6)LiFe4 square pyramid, corners with two equivalent O(3)LiFe4 square pyramids,  a cornercorner with one O(7)LiFe3 tetrahedra, and  an edgeedge with one O(6)Fe6 octahedra. In the second O site, O(2) is bonded to one Fe(10), one Fe(2), one Fe(3), one Fe(4), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(6)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid,  an edgeedge with one F(6)LiFe4 square pyramid, edges with two equivalent O(4)LiFe4 square pyramids, edges with two equivalent O(5)LiFe4 square pyramids, edges with two equivalent F(9)LiFe4 square pyramids, and  an edgeedge with one O(7)LiFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the third O site, O(3) is bonded to one Li(3), one Fe(1), one Fe(4), one Fe(5), and one Fe(9) atom to form OLiFe4 square pyramids that share  a cornercorner with one F(1)LiFe4 square pyramid,  a cornercorner with one F(6)LiFe4 square pyramid, corners with three equivalent O(5)LiFe4 square pyramids, corners with two equivalent O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid,  an edgeedge with one F(6)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Fe(2), one Fe(3), one Fe(4), and one Fe(8) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(5)LiFe4 square pyramid,  a cornercorner with one F(9)LiFe4 square pyramid, corners with three equivalent F(6)LiFe4 square pyramids,  a cornercorner with one O(7)LiFe3 tetrahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Fe(10), one Fe(3), one Fe(4), and one Fe(9) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(4)LiFe4 square pyramid,  a cornercorner with one F(9)LiFe4 square pyramid, corners with three equivalent O(3)LiFe4 square pyramids, corners with two equivalent O(7)LiFe3 tetrahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid,  an edgeedge with one F(6)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(4), one Fe(5), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(2)Fe6 octahedra,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid,  an edgeedge with one F(9)LiFe4 square pyramid, edges with two equivalent O(3)LiFe4 square pyramids, edges with two equivalent F(1)LiFe4 square pyramids, edges with two equivalent F(6)LiFe4 square pyramids, and  an edgeedge with one O(1)LiFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the seventh O site, O(7) is bonded to one Li(2), one Fe(10), one Fe(3), and one Fe(7) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(4)LiFe4 square pyramid,  a cornercorner with one F(9)LiFe4 square pyramid, corners with two equivalent O(5)LiFe4 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra, and  an edgeedge with one O(2)Fe6 octahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Fe(1), one Fe(6), one Fe(8), and one Fe(9) atom to form FLiFe4 square pyramids that share  a cornercorner with one O(3)LiFe4 square pyramid,  a cornercorner with one F(6)LiFe4 square pyramid, corners with three equivalent F(9)LiFe4 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid, and  an edgeedge with one F(6)LiFe4 square pyramid. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), one Fe(3), and one Fe(7) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(10), one Fe(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(6), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(10), one Fe(2), and one Fe(7) atom. In the sixth F site, F(6) is bonded to one Li(3), one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom to form FLiFe4 square pyramids that share  a cornercorner with one O(3)LiFe4 square pyramid,  a cornercorner with one F(1)LiFe4 square pyramid, corners with three equivalent O(4)LiFe4 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(5), and one Fe(6) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(5), one Fe(6), and one Fe(7) atom. In the ninth F site, F(9) is bonded to one Li(3), one Fe(10), one Fe(2), one Fe(8), and one Fe(9) atom to form FLiFe4 square pyramids that share  a cornercorner with one O(4)LiFe4 square pyramid,  a cornercorner with one O(5)LiFe4 square pyramid, corners with three equivalent F(1)LiFe4 square pyramids,  a cornercorner with one O(7)LiFe3 tetrahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid, and  an edgeedge with one F(6)LiFe4 square pyramid. is represented by the CIF file [CIF]
data_Li3Fe10O7F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   6.205
_cell_length_c   10.616
_cell_angle_alpha   75.004
_cell_angle_beta   74.574
_cell_angle_gamma   61.719
_symmetry_Int_Tables_number   1
_cell_volume   337.089
_cell_formula_units_Z   1
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  0.214  0.126  0.431  1.0
  Li  Li1  1  0.792  0.866  0.574  1.0
  Li  Li2  1  0.002  0.999  0.996  1.0
  Fe  Fe3  1  0.254  0.729  0.249  1.0
  Fe  Fe4  1  0.266  0.758  0.756  1.0
  Fe  Fe5  1  0.254  0.248  0.755  1.0
  Fe  Fe6  1  0.499  0.520  0.989  1.0
  Fe  Fe7  1  0.757  0.732  0.252  1.0
  Fe  Fe8  1  0.740  0.251  0.250  1.0
  Fe  Fe9  1  0.500  0.501  0.502  1.0
  Fe  Fe10  1  0.489  0.997  0.990  1.0
  Fe  Fe11  1  0.997  0.504  0.999  1.0
  Fe  Fe12  1  0.749  0.273  0.748  1.0
  O  O13  1  0.415  0.803  0.367  1.0
  O  O14  1  0.368  0.379  0.885  1.0
  O  O15  1  0.104  0.653  0.122  1.0
  O  O16  1  0.351  0.889  0.882  1.0
  O  O17  1  0.882  0.355  0.881  1.0
  O  O18  1  0.639  0.606  0.120  1.0
  O  O19  1  0.591  0.195  0.633  1.0
  F  F20  1  0.101  0.124  0.127  1.0
  F  F21  1  0.124  0.651  0.639  1.0
  F  F22  1  0.129  0.113  0.629  1.0
  F  F23  1  0.393  0.340  0.367  1.0
  F  F24  1  0.626  0.645  0.626  1.0
  F  F25  1  0.629  0.111  0.116  1.0
  F  F26  1  0.874  0.893  0.369  1.0
  F  F27  1  0.887  0.353  0.369  1.0
  F  F28  1  0.874  0.886  0.880  1.0
[/CIF]
.
The crystal structure described by Li3Fe10O7F9 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(3), one F(4), and one F(8) atom to form LiOF3 tetrahedra that share  a cornercorner with one Fe(2)O2F4 octahedra,  a cornercorner with one Fe(10)O3F3 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra, corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)OF5 octahedra, and corners with three equivalent Fe(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second Li site, Li(2) is bonded to one O(7), one F(2), one F(5), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Fe(1)O3F3 octahedra,  a cornercorner with one Fe(5)O3F3 octahedra,  a cornercorner with one Fe(6)OF5 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(10)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, and corners with three equivalent Fe(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(6), and one F(9) atom to form LiO3F3 octahedra that share  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, edges with two equivalent Fe(8)O3F3 octahedra, edges with two equivalent Fe(9)O4F2 octahedra, and edges with two equivalent Fe(4)O5F octahedra. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(7) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(9)O4F2 octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(9) atom to form FeO2F4 octahedra that share corners with three equivalent Fe(8)O3F3 octahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(10)O3F3 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form FeO4F2 octahedra that share corners with three equivalent Fe(4)O5F octahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, edges with two equivalent Fe(2)O2F4 octahedra, and edges with two equivalent Fe(10)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(6) atom to form FeO5F octahedra that share corners with three equivalent Fe(5)O3F3 octahedra, corners with three equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(3), one O(6), one F(6), one F(7), and one F(8) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(4)O5F octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, edges with two equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the sixth Fe site, Fe(6) is bonded to one O(6), one F(1), one F(4), one F(6), one F(7), and one F(8) atom to form FeOF5 octahedra that share corners with three equivalent Fe(8)O3F3 octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(7), one F(2), one F(4), one F(5), and one F(8) atom to form FeO2F4 octahedra that share corners with three equivalent Li(1)OF3 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(6)OF5 octahedra. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(4), one O(6), one F(1), one F(6), and one F(9) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(2)O2F4 octahedra, corners with three equivalent Fe(6)OF5 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(10)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Fe(9)O4F2 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the ninth Fe site, Fe(9) is bonded to one O(2), one O(3), one O(5), one O(6), one F(1), and one F(9) atom to form FeO4F2 octahedra that share corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(10)O3F3 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the tenth Fe site, Fe(10) is bonded to one O(2), one O(5), one O(7), one F(3), one F(5), and one F(9) atom to form FeO3F3 octahedra that share corners with three equivalent Fe(9)O4F2 octahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Fe(7)O2F4 octahedra,  an edgeedge with one Fe(8)O3F3 octahedra,  an edgeedge with one Fe(4)O5F octahedra, edges with two equivalent Fe(2)O2F4 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(5), and one Fe(7) atom to form OLiFe3 tetrahedra that share  a cornercorner with one F(1)LiFe4 square pyramid,  a cornercorner with one F(6)LiFe4 square pyramid, corners with two equivalent O(3)LiFe4 square pyramids,  a cornercorner with one O(7)LiFe3 tetrahedra, and  an edgeedge with one O(6)Fe6 octahedra. In the second O site, O(2) is bonded to one Fe(10), one Fe(2), one Fe(3), one Fe(4), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(6)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid,  an edgeedge with one F(6)LiFe4 square pyramid, edges with two equivalent O(4)LiFe4 square pyramids, edges with two equivalent O(5)LiFe4 square pyramids, edges with two equivalent F(9)LiFe4 square pyramids, and  an edgeedge with one O(7)LiFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the third O site, O(3) is bonded to one Li(3), one Fe(1), one Fe(4), one Fe(5), and one Fe(9) atom to form OLiFe4 square pyramids that share  a cornercorner with one F(1)LiFe4 square pyramid,  a cornercorner with one F(6)LiFe4 square pyramid, corners with three equivalent O(5)LiFe4 square pyramids, corners with two equivalent O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid,  an edgeedge with one F(6)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Fe(2), one Fe(3), one Fe(4), and one Fe(8) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(5)LiFe4 square pyramid,  a cornercorner with one F(9)LiFe4 square pyramid, corners with three equivalent F(6)LiFe4 square pyramids,  a cornercorner with one O(7)LiFe3 tetrahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Fe(10), one Fe(3), one Fe(4), and one Fe(9) atom to form OLiFe4 square pyramids that share  a cornercorner with one O(4)LiFe4 square pyramid,  a cornercorner with one F(9)LiFe4 square pyramid, corners with three equivalent O(3)LiFe4 square pyramids, corners with two equivalent O(7)LiFe3 tetrahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid,  an edgeedge with one F(6)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(4), one Fe(5), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(2)Fe6 octahedra,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid,  an edgeedge with one F(9)LiFe4 square pyramid, edges with two equivalent O(3)LiFe4 square pyramids, edges with two equivalent F(1)LiFe4 square pyramids, edges with two equivalent F(6)LiFe4 square pyramids, and  an edgeedge with one O(1)LiFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the seventh O site, O(7) is bonded to one Li(2), one Fe(10), one Fe(3), and one Fe(7) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(4)LiFe4 square pyramid,  a cornercorner with one F(9)LiFe4 square pyramid, corners with two equivalent O(5)LiFe4 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra, and  an edgeedge with one O(2)Fe6 octahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Fe(1), one Fe(6), one Fe(8), and one Fe(9) atom to form FLiFe4 square pyramids that share  a cornercorner with one O(3)LiFe4 square pyramid,  a cornercorner with one F(6)LiFe4 square pyramid, corners with three equivalent F(9)LiFe4 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid, and  an edgeedge with one F(6)LiFe4 square pyramid. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), one Fe(3), and one Fe(7) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(10), one Fe(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(6), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(10), one Fe(2), and one Fe(7) atom. In the sixth F site, F(6) is bonded to one Li(3), one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom to form FLiFe4 square pyramids that share  a cornercorner with one O(3)LiFe4 square pyramid,  a cornercorner with one F(1)LiFe4 square pyramid, corners with three equivalent O(4)LiFe4 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid,  an edgeedge with one F(1)LiFe4 square pyramid, and  an edgeedge with one F(9)LiFe4 square pyramid. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(5), and one Fe(6) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(5), one Fe(6), and one Fe(7) atom. In the ninth F site, F(9) is bonded to one Li(3), one Fe(10), one Fe(2), one Fe(8), and one Fe(9) atom to form FLiFe4 square pyramids that share  a cornercorner with one O(4)LiFe4 square pyramid,  a cornercorner with one O(5)LiFe4 square pyramid, corners with three equivalent F(1)LiFe4 square pyramids,  a cornercorner with one O(7)LiFe3 tetrahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(3)LiFe4 square pyramid,  an edgeedge with one O(4)LiFe4 square pyramid,  an edgeedge with one O(5)LiFe4 square pyramid, and  an edgeedge with one F(6)LiFe4 square pyramid. is represented by the CIF file [CIF]
data_Li3Fe10O7F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   6.205
_cell_length_c   10.616
_cell_angle_alpha   75.004
_cell_angle_beta   74.574
_cell_angle_gamma   61.719
_symmetry_Int_Tables_number   1
_cell_volume   337.089
_cell_formula_units_Z   1
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  0.214  0.126  0.431  1.0
  Li  Li1  1  0.792  0.866  0.574  1.0
  Li  Li2  1  0.002  0.999  0.996  1.0
  Fe  Fe3  1  0.254  0.729  0.249  1.0
  Fe  Fe4  1  0.266  0.758  0.756  1.0
  Fe  Fe5  1  0.254  0.248  0.755  1.0
  Fe  Fe6  1  0.499  0.520  0.989  1.0
  Fe  Fe7  1  0.757  0.732  0.252  1.0
  Fe  Fe8  1  0.740  0.251  0.250  1.0
  Fe  Fe9  1  0.500  0.501  0.502  1.0
  Fe  Fe10  1  0.489  0.997  0.990  1.0
  Fe  Fe11  1  0.997  0.504  0.999  1.0
  Fe  Fe12  1  0.749  0.273  0.748  1.0
  O  O13  1  0.415  0.803  0.367  1.0
  O  O14  1  0.368  0.379  0.885  1.0
  O  O15  1  0.104  0.653  0.122  1.0
  O  O16  1  0.351  0.889  0.882  1.0
  O  O17  1  0.882  0.355  0.881  1.0
  O  O18  1  0.639  0.606  0.120  1.0
  O  O19  1  0.591  0.195  0.633  1.0
  F  F20  1  0.101  0.124  0.127  1.0
  F  F21  1  0.124  0.651  0.639  1.0
  F  F22  1  0.129  0.113  0.629  1.0
  F  F23  1  0.393  0.340  0.367  1.0
  F  F24  1  0.626  0.645  0.626  1.0
  F  F25  1  0.629  0.111  0.116  1.0
  F  F26  1  0.874  0.893  0.369  1.0
  F  F27  1  0.887  0.353  0.369  1.0
  F  F28  1  0.874  0.886  0.880  1.0
[/CIF]
.