The material described by Li5Fe7O3F13 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(6), and two equivalent F(2) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(5)F6 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(2)F6 octahedra, and corners with four equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Li site, Li(2) is bonded to one O(2), one F(9), and two equivalent F(8) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Li(5)F6 octahedra, corners with two equivalent Fe(1)O2F4 octahedra, corners with three equivalent Fe(2)F6 octahedra, and corners with four equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent F(5) atoms to form LiO2F2 tetrahedra that share  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Li(5)F6 octahedra, corners with two equivalent Fe(1)O2F4 octahedra, corners with three equivalent Fe(5)OF5 octahedra, and corners with four equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the fourth Li site, Li(4) is bonded to one F(4), one F(7), and two equivalent F(3) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(5)F6 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(5)OF5 octahedra, and corners with four equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the fifth Li site, Li(5) is bonded to one F(6), one F(7), two equivalent F(5), and two equivalent F(8) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, and edges with four equivalent Fe(4)OF5 octahedra. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form FeO2F4 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with two equivalent Fe(3)O2F4 octahedra. In the second Fe site, Fe(2) is bonded to one F(1), one F(9), two equivalent F(2), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), two equivalent F(2), and two equivalent F(3) atoms to form FeO2F4 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, and edges with four equivalent Fe(1)O2F4 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(3), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form FeOF5 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, edges with two equivalent Li(5)F6 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(3), one F(4), two equivalent F(3), and two equivalent F(5) atoms to form FeOF5 octahedra that share corners with three equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Fe(3), and two equivalent Fe(1) atoms to form corner-sharing OLiFe3 tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Fe(3), and two equivalent Fe(1) atoms to form corner-sharing OLiFe3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(5), and two equivalent Fe(4) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(5), and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(5), one Fe(4), and one Fe(5) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), and two equivalent Fe(4) atoms. In the seventh F site, F(7) is bonded in a distorted tetrahedral geometry to one Li(4), one Li(5), and two equivalent Fe(4) atoms. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Fe(2), and one Fe(4) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), and two equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_Li5Fe7O3F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.183
_cell_length_b   6.183
_cell_length_c   10.788
_cell_angle_alpha   73.386
_cell_angle_beta   73.386
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   339.859
_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  0.633  0.633  0.111  1.0
  Li  Li1  1  0.996  0.996  0.018  1.0
  Li  Li2  1  0.123  0.123  0.611  1.0
  Li  Li3  1  0.503  0.503  0.512  1.0
  Li  Li4  1  0.569  0.569  0.809  1.0
  Fe  Fe5  1  0.065  0.568  0.313  1.0
  Fe  Fe6  1  0.320  0.320  0.059  1.0
  Fe  Fe7  1  0.065  0.065  0.312  1.0
  Fe  Fe8  1  0.568  0.065  0.313  1.0
  Fe  Fe9  1  0.582  0.063  0.805  1.0
  Fe  Fe10  1  0.820  0.820  0.572  1.0
  Fe  Fe11  1  0.063  0.582  0.805  1.0
  O  O12  1  0.203  0.203  0.401  1.0
  O  O13  1  0.928  0.928  0.221  1.0
  O  O14  1  0.925  0.925  0.694  1.0
  F  F15  1  0.443  0.443  0.177  1.0
  F  F16  1  0.951  0.443  0.172  1.0
  F  F17  1  0.443  0.951  0.172  1.0
  F  F18  1  0.685  0.194  0.443  1.0
  F  F19  1  0.697  0.697  0.454  1.0
  F  F20  1  0.194  0.685  0.443  1.0
  F  F21  1  0.448  0.927  0.693  1.0
  F  F22  1  0.927  0.448  0.693  1.0
  F  F23  1  0.688  0.688  0.923  1.0
  F  F24  1  0.438  0.438  0.705  1.0
  F  F25  1  0.202  0.670  0.941  1.0
  F  F26  1  0.205  0.205  0.927  1.0
  F  F27  1  0.670  0.202  0.941  1.0
[/CIF]
.
The material described by Li5Fe7O3F13 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(6), and two equivalent F(2) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(5)F6 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(2)F6 octahedra, and corners with four equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Li site, Li(2) is bonded to one O(2), one F(9), and two equivalent F(8) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Li(5)F6 octahedra, corners with two equivalent Fe(1)O2F4 octahedra, corners with three equivalent Fe(2)F6 octahedra, and corners with four equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent F(5) atoms to form LiO2F2 tetrahedra that share  a cornercorner with one Fe(3)O2F4 octahedra, corners with two equivalent Li(5)F6 octahedra, corners with two equivalent Fe(1)O2F4 octahedra, corners with three equivalent Fe(5)OF5 octahedra, and corners with four equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the fourth Li site, Li(4) is bonded to one F(4), one F(7), and two equivalent F(3) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(5)F6 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(5)OF5 octahedra, and corners with four equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the fifth Li site, Li(5) is bonded to one F(6), one F(7), two equivalent F(5), and two equivalent F(8) atoms to form LiF6 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, and edges with four equivalent Fe(4)OF5 octahedra. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form FeO2F4 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with two equivalent Fe(3)O2F4 octahedra. In the second Fe site, Fe(2) is bonded to one F(1), one F(9), two equivalent F(2), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), two equivalent F(2), and two equivalent F(3) atoms to form FeO2F4 octahedra that share  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, and edges with four equivalent Fe(1)O2F4 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(3), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form FeOF5 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(5)OF5 octahedra, edges with two equivalent Li(5)F6 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(3), one F(4), two equivalent F(3), and two equivalent F(5) atoms to form FeOF5 octahedra that share corners with three equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Li(5)F6 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Fe(1)O2F4 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Fe(3), and two equivalent Fe(1) atoms to form corner-sharing OLiFe3 tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Fe(3), and two equivalent Fe(1) atoms to form corner-sharing OLiFe3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(5), and two equivalent Fe(4) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(5), and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(5), one Fe(4), and one Fe(5) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), and two equivalent Fe(4) atoms. In the seventh F site, F(7) is bonded in a distorted tetrahedral geometry to one Li(4), one Li(5), and two equivalent Fe(4) atoms. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Fe(2), and one Fe(4) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), and two equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_Li5Fe7O3F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.183
_cell_length_b   6.183
_cell_length_c   10.788
_cell_angle_alpha   73.386
_cell_angle_beta   73.386
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   339.859
_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  0.633  0.633  0.111  1.0
  Li  Li1  1  0.996  0.996  0.018  1.0
  Li  Li2  1  0.123  0.123  0.611  1.0
  Li  Li3  1  0.503  0.503  0.512  1.0
  Li  Li4  1  0.569  0.569  0.809  1.0
  Fe  Fe5  1  0.065  0.568  0.313  1.0
  Fe  Fe6  1  0.320  0.320  0.059  1.0
  Fe  Fe7  1  0.065  0.065  0.312  1.0
  Fe  Fe8  1  0.568  0.065  0.313  1.0
  Fe  Fe9  1  0.582  0.063  0.805  1.0
  Fe  Fe10  1  0.820  0.820  0.572  1.0
  Fe  Fe11  1  0.063  0.582  0.805  1.0
  O  O12  1  0.203  0.203  0.401  1.0
  O  O13  1  0.928  0.928  0.221  1.0
  O  O14  1  0.925  0.925  0.694  1.0
  F  F15  1  0.443  0.443  0.177  1.0
  F  F16  1  0.951  0.443  0.172  1.0
  F  F17  1  0.443  0.951  0.172  1.0
  F  F18  1  0.685  0.194  0.443  1.0
  F  F19  1  0.697  0.697  0.454  1.0
  F  F20  1  0.194  0.685  0.443  1.0
  F  F21  1  0.448  0.927  0.693  1.0
  F  F22  1  0.927  0.448  0.693  1.0
  F  F23  1  0.688  0.688  0.923  1.0
  F  F24  1  0.438  0.438  0.705  1.0
  F  F25  1  0.202  0.670  0.941  1.0
  F  F26  1  0.205  0.205  0.927  1.0
  F  F27  1  0.670  0.202  0.941  1.0
[/CIF]
.