The structure described by LiFe8(O7F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(8), and one F(1) atom to form distorted LiO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra,  an edgeedge with one Fe(5)O6 octahedra,  a faceface with one Fe(8)O5F octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(6), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(13), one O(14), one O(2), one O(7), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and  a faceface with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(13), one O(2), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the eighth O site, O(8) is bonded to one Li(1), one Fe(3), one Fe(5), and one Fe(8) atom to form distorted edge-sharing OLiFe3 trigonal pyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(3), one Fe(7), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Fe(6), one Fe(7), and one Fe(8) atom to form distorted edge-sharing OLiFe3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Fe(4), one Fe(6), and one Fe(7) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(4), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.292
_cell_length_b   7.397
_cell_length_c   5.547
_cell_angle_alpha   109.212
_cell_angle_beta   108.804
_cell_angle_gamma   81.362
_symmetry_Int_Tables_number   1
_cell_volume   267.159
_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  0.140  0.642  0.783  1.0
  Fe  Fe1  1  0.750  0.236  0.496  1.0
  Fe  Fe2  1  0.500  0.993  0.974  1.0
  Fe  Fe3  1  0.248  0.253  0.515  1.0
  Fe  Fe4  1  0.740  0.764  0.474  1.0
  Fe  Fe5  1  0.509  0.477  0.005  1.0
  Fe  Fe6  1  0.976  0.003  0.994  1.0
  Fe  Fe7  1  0.253  0.756  0.473  1.0
  Fe  Fe8  1  0.001  0.483  0.035  1.0
  O  O9  1  0.980  0.172  0.351  1.0
  O  O10  1  0.912  0.227  0.847  1.0
  O  O11  1  0.583  0.254  0.147  1.0
  O  O12  1  0.326  0.017  0.635  1.0
  O  O13  1  0.522  0.329  0.657  1.0
  O  O14  1  0.765  0.573  0.150  1.0
  O  O15  1  0.717  0.906  0.814  1.0
  O  O16  1  0.241  0.415  0.876  1.0
  O  O17  1  0.486  0.661  0.334  1.0
  O  O18  1  0.655  0.973  0.313  1.0
  O  O19  1  0.172  0.496  0.389  1.0
  O  O20  1  0.396  0.741  0.826  1.0
  O  O21  1  0.081  0.762  0.135  1.0
  O  O22  1  0.001  0.837  0.635  1.0
  F  F23  1  0.849  0.516  0.658  1.0
  F  F24  1  0.261  0.087  0.139  1.0
[/CIF]
.
The structure described by LiFe8(O7F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(8), and one F(1) atom to form distorted LiO5F octahedra that share  a cornercorner with one Fe(1)O5F octahedra,  a cornercorner with one Fe(2)O5F octahedra,  a cornercorner with one Fe(8)O5F octahedra,  a cornercorner with one Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra,  an edgeedge with one Fe(5)O6 octahedra,  a faceface with one Fe(8)O5F octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(6), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(6)O5F octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(13), one O(14), one O(2), one O(7), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(8)O5F octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Li(1)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5F octahedra,  an edgeedge with one Fe(8)O5F octahedra, and  a faceface with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(13), one O(2), one O(6), one O(8), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one Li(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the eighth O site, O(8) is bonded to one Li(1), one Fe(3), one Fe(5), and one Fe(8) atom to form distorted edge-sharing OLiFe3 trigonal pyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(3), one Fe(7), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Fe(6), one Fe(7), and one Fe(8) atom to form distorted edge-sharing OLiFe3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Fe(4), one Fe(6), and one Fe(7) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(4), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.292
_cell_length_b   7.397
_cell_length_c   5.547
_cell_angle_alpha   109.212
_cell_angle_beta   108.804
_cell_angle_gamma   81.362
_symmetry_Int_Tables_number   1
_cell_volume   267.159
_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  0.140  0.642  0.783  1.0
  Fe  Fe1  1  0.750  0.236  0.496  1.0
  Fe  Fe2  1  0.500  0.993  0.974  1.0
  Fe  Fe3  1  0.248  0.253  0.515  1.0
  Fe  Fe4  1  0.740  0.764  0.474  1.0
  Fe  Fe5  1  0.509  0.477  0.005  1.0
  Fe  Fe6  1  0.976  0.003  0.994  1.0
  Fe  Fe7  1  0.253  0.756  0.473  1.0
  Fe  Fe8  1  0.001  0.483  0.035  1.0
  O  O9  1  0.980  0.172  0.351  1.0
  O  O10  1  0.912  0.227  0.847  1.0
  O  O11  1  0.583  0.254  0.147  1.0
  O  O12  1  0.326  0.017  0.635  1.0
  O  O13  1  0.522  0.329  0.657  1.0
  O  O14  1  0.765  0.573  0.150  1.0
  O  O15  1  0.717  0.906  0.814  1.0
  O  O16  1  0.241  0.415  0.876  1.0
  O  O17  1  0.486  0.661  0.334  1.0
  O  O18  1  0.655  0.973  0.313  1.0
  O  O19  1  0.172  0.496  0.389  1.0
  O  O20  1  0.396  0.741  0.826  1.0
  O  O21  1  0.081  0.762  0.135  1.0
  O  O22  1  0.001  0.837  0.635  1.0
  F  F23  1  0.849  0.516  0.658  1.0
  F  F24  1  0.261  0.087  0.139  1.0
[/CIF]
.