The crystal structure described by Li4Fe3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(11), one F(2), one F(4), one F(5), one F(8), and one F(9) atom. In the third Li site, Li(3) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Fe(3)OF5 octahedra, corners with two equivalent Fe(2)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Fe(3)OF5 octahedra, and  an edgeedge with one Fe(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-67°. In the fourth Li site, Li(4) is bonded to one F(1), one F(11), one F(3), one F(6), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Fe(3)OF5 octahedra, corners with two equivalent Fe(2)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)OF6 pentagonal bipyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-64°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), one F(10), one F(2), one F(3), one F(5), and one F(8) atom to form distorted FeOF6 pentagonal bipyramids that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Fe(2)OF5 octahedra,  a cornercorner with one Fe(3)OF5 octahedra,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Fe(2)OF5 octahedra,  an edgeedge with one Fe(3)OF5 octahedra, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-62°. In the second Fe site, Fe(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(4), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Li(4)F6 octahedra, corners with two equivalent Fe(3)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid, corners with two equivalent Li(3)F6 pentagonal pyramids, and  an edgeedge with one Fe(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 44-64°. In the third Fe site, Fe(3) is bonded to one O(1), one F(2), one F(3), one F(6), one F(7), and one F(9) atom to form distorted FeOF5 octahedra that share  a cornercorner with one Li(4)F6 octahedra, corners with two equivalent Fe(2)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Fe(1)OF6 pentagonal bipyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-60°. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(2) atom to form distorted FLi2Fe2 trigonal pyramids that share corners with two equivalent F(2)Li2Fe2 tetrahedra, corners with two equivalent F(6)Li3Fe tetrahedra, corners with two equivalent F(8)Li3Fe tetrahedra,  a cornercorner with one F(3)Li2Fe2 trigonal pyramid,  a cornercorner with one F(9)Li3Fe trigonal pyramid, and  an edgeedge with one F(3)Li2Fe2 trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom to form distorted FLi2Fe2 tetrahedra that share corners with two equivalent F(6)Li3Fe tetrahedra, corners with two equivalent F(8)Li3Fe tetrahedra,  a cornercorner with one F(3)Li2Fe2 trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)Li2Fe2 trigonal pyramid, and  an edgeedge with one F(9)Li3Fe trigonal pyramid. In the third F site, F(3) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(3) atom to form distorted FLi2Fe2 trigonal pyramids that share  a cornercorner with one F(2)Li2Fe2 tetrahedra,  a cornercorner with one F(6)Li3Fe tetrahedra,  a cornercorner with one F(1)Li2Fe2 trigonal pyramid, corners with two equivalent F(9)Li3Fe trigonal pyramids,  an edgeedge with one F(2)Li2Fe2 tetrahedra,  an edgeedge with one F(6)Li3Fe tetrahedra,  an edgeedge with one F(8)Li3Fe tetrahedra, and  an edgeedge with one F(1)Li2Fe2 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Fe(2) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Fe(1) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(3), one Li(4), and one Fe(3) atom to form FLi3Fe tetrahedra that share corners with two equivalent F(2)Li2Fe2 tetrahedra, corners with two equivalent F(8)Li3Fe tetrahedra,  a cornercorner with one F(3)Li2Fe2 trigonal pyramid,  a cornercorner with one F(9)Li3Fe trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)Li2Fe2 trigonal pyramid, and  an edgeedge with one F(9)Li3Fe trigonal pyramid. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Fe(3) atom. In the eighth F site, F(8) is bonded to one Li(2), one Li(3), one Li(4), and one Fe(1) atom to form FLi3Fe tetrahedra that share corners with two equivalent F(2)Li2Fe2 tetrahedra, corners with two equivalent F(6)Li3Fe tetrahedra,  a cornercorner with one F(9)Li3Fe trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)Li2Fe2 trigonal pyramid, and  an edgeedge with one F(9)Li3Fe trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(2), one Li(3), one Li(4), and one Fe(3) atom to form distorted FLi3Fe trigonal pyramids that share  a cornercorner with one F(6)Li3Fe tetrahedra,  a cornercorner with one F(8)Li3Fe tetrahedra,  a cornercorner with one F(1)Li2Fe2 trigonal pyramid, corners with two equivalent F(3)Li2Fe2 trigonal pyramids,  an edgeedge with one F(2)Li2Fe2 tetrahedra,  an edgeedge with one F(6)Li3Fe tetrahedra, and  an edgeedge with one F(8)Li3Fe tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Li4Fe3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   5.963
_cell_length_c   6.169
_cell_angle_alpha   99.931
_cell_angle_beta   100.020
_cell_angle_gamma   98.268
_symmetry_Int_Tables_number   1
_cell_volume   206.104
_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  0.123  0.334  0.583  1.0
  Li  Li1  1  0.602  0.132  0.310  1.0
  Li  Li2  1  0.860  0.663  0.401  1.0
  Li  Li3  1  0.329  0.603  0.146  1.0
  Fe  Fe4  1  0.687  0.374  0.867  1.0
  Fe  Fe5  1  0.994  0.004  0.007  1.0
  Fe  Fe6  1  0.409  0.857  0.658  1.0
  O  O7  1  0.679  0.046  0.873  1.0
  F  F8  1  0.080  0.322  0.954  1.0
  F  F9  1  0.399  0.180  0.593  1.0
  F  F10  1  0.437  0.593  0.817  1.0
  F  F11  1  0.946  0.118  0.306  1.0
  F  F12  1  0.810  0.431  0.606  1.0
  F  F13  1  0.193  0.601  0.422  1.0
  F  F14  1  0.081  0.893  0.709  1.0
  F  F15  1  0.582  0.399  0.157  1.0
  F  F16  1  0.600  0.823  0.429  1.0
  F  F17  1  0.883  0.683  0.045  1.0
  F  F18  1  0.305  0.946  0.117  1.0
[/CIF]
.
The crystal structure described by Li4Fe3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(11), one F(2), one F(4), one F(5), one F(8), and one F(9) atom. In the third Li site, Li(3) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Fe(3)OF5 octahedra, corners with two equivalent Fe(2)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Fe(3)OF5 octahedra, and  an edgeedge with one Fe(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-67°. In the fourth Li site, Li(4) is bonded to one F(1), one F(11), one F(3), one F(6), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Fe(3)OF5 octahedra, corners with two equivalent Fe(2)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)OF6 pentagonal bipyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-64°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), one F(10), one F(2), one F(3), one F(5), and one F(8) atom to form distorted FeOF6 pentagonal bipyramids that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one Fe(2)OF5 octahedra,  a cornercorner with one Fe(3)OF5 octahedra,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Fe(2)OF5 octahedra,  an edgeedge with one Fe(3)OF5 octahedra, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-62°. In the second Fe site, Fe(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(4), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Li(4)F6 octahedra, corners with two equivalent Fe(3)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid, corners with two equivalent Li(3)F6 pentagonal pyramids, and  an edgeedge with one Fe(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 44-64°. In the third Fe site, Fe(3) is bonded to one O(1), one F(2), one F(3), one F(6), one F(7), and one F(9) atom to form distorted FeOF5 octahedra that share  a cornercorner with one Li(4)F6 octahedra, corners with two equivalent Fe(2)OF5 octahedra,  a cornercorner with one Fe(1)OF6 pentagonal bipyramid,  a cornercorner with one Li(3)F6 pentagonal pyramid,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Fe(1)OF6 pentagonal bipyramid, and  an edgeedge with one Li(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-60°. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(2) atom to form distorted FLi2Fe2 trigonal pyramids that share corners with two equivalent F(2)Li2Fe2 tetrahedra, corners with two equivalent F(6)Li3Fe tetrahedra, corners with two equivalent F(8)Li3Fe tetrahedra,  a cornercorner with one F(3)Li2Fe2 trigonal pyramid,  a cornercorner with one F(9)Li3Fe trigonal pyramid, and  an edgeedge with one F(3)Li2Fe2 trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom to form distorted FLi2Fe2 tetrahedra that share corners with two equivalent F(6)Li3Fe tetrahedra, corners with two equivalent F(8)Li3Fe tetrahedra,  a cornercorner with one F(3)Li2Fe2 trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)Li2Fe2 trigonal pyramid, and  an edgeedge with one F(9)Li3Fe trigonal pyramid. In the third F site, F(3) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(3) atom to form distorted FLi2Fe2 trigonal pyramids that share  a cornercorner with one F(2)Li2Fe2 tetrahedra,  a cornercorner with one F(6)Li3Fe tetrahedra,  a cornercorner with one F(1)Li2Fe2 trigonal pyramid, corners with two equivalent F(9)Li3Fe trigonal pyramids,  an edgeedge with one F(2)Li2Fe2 tetrahedra,  an edgeedge with one F(6)Li3Fe tetrahedra,  an edgeedge with one F(8)Li3Fe tetrahedra, and  an edgeedge with one F(1)Li2Fe2 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Fe(2) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Fe(1) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(3), one Li(4), and one Fe(3) atom to form FLi3Fe tetrahedra that share corners with two equivalent F(2)Li2Fe2 tetrahedra, corners with two equivalent F(8)Li3Fe tetrahedra,  a cornercorner with one F(3)Li2Fe2 trigonal pyramid,  a cornercorner with one F(9)Li3Fe trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)Li2Fe2 trigonal pyramid, and  an edgeedge with one F(9)Li3Fe trigonal pyramid. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Fe(3) atom. In the eighth F site, F(8) is bonded to one Li(2), one Li(3), one Li(4), and one Fe(1) atom to form FLi3Fe tetrahedra that share corners with two equivalent F(2)Li2Fe2 tetrahedra, corners with two equivalent F(6)Li3Fe tetrahedra,  a cornercorner with one F(9)Li3Fe trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)Li2Fe2 trigonal pyramid, and  an edgeedge with one F(9)Li3Fe trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(2), one Li(3), one Li(4), and one Fe(3) atom to form distorted FLi3Fe trigonal pyramids that share  a cornercorner with one F(6)Li3Fe tetrahedra,  a cornercorner with one F(8)Li3Fe tetrahedra,  a cornercorner with one F(1)Li2Fe2 trigonal pyramid, corners with two equivalent F(3)Li2Fe2 trigonal pyramids,  an edgeedge with one F(2)Li2Fe2 tetrahedra,  an edgeedge with one F(6)Li3Fe tetrahedra, and  an edgeedge with one F(8)Li3Fe tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Li4Fe3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   5.963
_cell_length_c   6.169
_cell_angle_alpha   99.931
_cell_angle_beta   100.020
_cell_angle_gamma   98.268
_symmetry_Int_Tables_number   1
_cell_volume   206.104
_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  0.123  0.334  0.583  1.0
  Li  Li1  1  0.602  0.132  0.310  1.0
  Li  Li2  1  0.860  0.663  0.401  1.0
  Li  Li3  1  0.329  0.603  0.146  1.0
  Fe  Fe4  1  0.687  0.374  0.867  1.0
  Fe  Fe5  1  0.994  0.004  0.007  1.0
  Fe  Fe6  1  0.409  0.857  0.658  1.0
  O  O7  1  0.679  0.046  0.873  1.0
  F  F8  1  0.080  0.322  0.954  1.0
  F  F9  1  0.399  0.180  0.593  1.0
  F  F10  1  0.437  0.593  0.817  1.0
  F  F11  1  0.946  0.118  0.306  1.0
  F  F12  1  0.810  0.431  0.606  1.0
  F  F13  1  0.193  0.601  0.422  1.0
  F  F14  1  0.081  0.893  0.709  1.0
  F  F15  1  0.582  0.399  0.157  1.0
  F  F16  1  0.600  0.823  0.429  1.0
  F  F17  1  0.883  0.683  0.045  1.0
  F  F18  1  0.305  0.946  0.117  1.0
[/CIF]
.