The structure described by LiFe2OF5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Ama2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(4), two equivalent F(1), and two equivalent F(5) atoms to form LiOF5 octahedra that share corners with eight equivalent Fe(2)OF5 octahedra and edges with two equivalent Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Li site, Li(2) is bonded to one O(1), one F(6), two equivalent F(2), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with eight equivalent Fe(1)OF5 octahedra and edges with two equivalent Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form FeOF5 octahedra that share corners with four equivalent Li(2)OF5 octahedra, corners with four equivalent Fe(2)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the second Fe site, Fe(2) is bonded to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form FeOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent Fe(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Fe(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Fe(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.728
_cell_length_b   4.728
_cell_length_c   18.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   412.242
_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  0.010  0.985  0.750  1.0
  Li  Li1  1  0.985  0.010  0.250  1.0
  Li  Li2  1  0.488  0.488  0.500  1.0
  Li  Li3  1  0.488  0.488  0.000  1.0
  Fe  Fe4  1  0.015  0.008  0.420  1.0
  Fe  Fe5  1  0.008  0.015  0.580  1.0
  Fe  Fe6  1  0.008  0.015  0.920  1.0
  Fe  Fe7  1  0.015  0.008  0.080  1.0
  Fe  Fe8  1  0.515  0.491  0.170  1.0
  Fe  Fe9  1  0.491  0.515  0.670  1.0
  Fe  Fe10  1  0.515  0.491  0.330  1.0
  Fe  Fe11  1  0.491  0.515  0.830  1.0
  O  O12  1  0.186  0.186  0.500  1.0
  O  O13  1  0.186  0.186  0.000  1.0
  O  O14  1  0.689  0.316  0.250  1.0
  O  O15  1  0.316  0.689  0.750  1.0
  F  F16  1  0.198  0.203  0.336  1.0
  F  F17  1  0.203  0.198  0.664  1.0
  F  F18  1  0.203  0.198  0.836  1.0
  F  F19  1  0.198  0.203  0.164  1.0
  F  F20  1  0.695  0.300  0.589  1.0
  F  F21  1  0.698  0.297  0.086  1.0
  F  F22  1  0.695  0.300  0.911  1.0
  F  F23  1  0.698  0.297  0.414  1.0
  F  F24  1  0.702  0.301  0.750  1.0
  F  F25  1  0.301  0.702  0.250  1.0
  F  F26  1  0.297  0.698  0.586  1.0
  F  F27  1  0.300  0.695  0.411  1.0
  F  F28  1  0.297  0.698  0.914  1.0
  F  F29  1  0.300  0.695  0.089  1.0
  F  F30  1  0.805  0.800  0.661  1.0
  F  F31  1  0.800  0.805  0.339  1.0
  F  F32  1  0.805  0.800  0.839  1.0
  F  F33  1  0.800  0.805  0.161  1.0
  F  F34  1  0.799  0.799  0.500  1.0
  F  F35  1  0.799  0.799  0.000  1.0
[/CIF]
.
The structure described by LiFe2OF5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Ama2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(4), two equivalent F(1), and two equivalent F(5) atoms to form LiOF5 octahedra that share corners with eight equivalent Fe(2)OF5 octahedra and edges with two equivalent Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Li site, Li(2) is bonded to one O(1), one F(6), two equivalent F(2), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with eight equivalent Fe(1)OF5 octahedra and edges with two equivalent Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form FeOF5 octahedra that share corners with four equivalent Li(2)OF5 octahedra, corners with four equivalent Fe(2)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the second Fe site, Fe(2) is bonded to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form FeOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent Fe(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Fe(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Fe(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.728
_cell_length_b   4.728
_cell_length_c   18.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   412.242
_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  0.010  0.985  0.750  1.0
  Li  Li1  1  0.985  0.010  0.250  1.0
  Li  Li2  1  0.488  0.488  0.500  1.0
  Li  Li3  1  0.488  0.488  0.000  1.0
  Fe  Fe4  1  0.015  0.008  0.420  1.0
  Fe  Fe5  1  0.008  0.015  0.580  1.0
  Fe  Fe6  1  0.008  0.015  0.920  1.0
  Fe  Fe7  1  0.015  0.008  0.080  1.0
  Fe  Fe8  1  0.515  0.491  0.170  1.0
  Fe  Fe9  1  0.491  0.515  0.670  1.0
  Fe  Fe10  1  0.515  0.491  0.330  1.0
  Fe  Fe11  1  0.491  0.515  0.830  1.0
  O  O12  1  0.186  0.186  0.500  1.0
  O  O13  1  0.186  0.186  0.000  1.0
  O  O14  1  0.689  0.316  0.250  1.0
  O  O15  1  0.316  0.689  0.750  1.0
  F  F16  1  0.198  0.203  0.336  1.0
  F  F17  1  0.203  0.198  0.664  1.0
  F  F18  1  0.203  0.198  0.836  1.0
  F  F19  1  0.198  0.203  0.164  1.0
  F  F20  1  0.695  0.300  0.589  1.0
  F  F21  1  0.698  0.297  0.086  1.0
  F  F22  1  0.695  0.300  0.911  1.0
  F  F23  1  0.698  0.297  0.414  1.0
  F  F24  1  0.702  0.301  0.750  1.0
  F  F25  1  0.301  0.702  0.250  1.0
  F  F26  1  0.297  0.698  0.586  1.0
  F  F27  1  0.300  0.695  0.411  1.0
  F  F28  1  0.297  0.698  0.914  1.0
  F  F29  1  0.300  0.695  0.089  1.0
  F  F30  1  0.805  0.800  0.661  1.0
  F  F31  1  0.800  0.805  0.339  1.0
  F  F32  1  0.805  0.800  0.839  1.0
  F  F33  1  0.800  0.805  0.161  1.0
  F  F34  1  0.799  0.799  0.500  1.0
  F  F35  1  0.799  0.799  0.000  1.0
[/CIF]
.