The material structure described by Li7MnO5F crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(7), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent Li(4)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-54°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(8), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(4)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Mn(2)O5F octahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(7), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), one O(9), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(4), one O(6), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one F(1) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(8), and one F(2) atom. In the ninth Li site, Li(9) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 22-53°. In the tenth Li site, Li(10) is bonded to one O(10), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(2)O5F octahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 22-53°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(10), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 30-54°. In the twelfth Li site, Li(12) is bonded to one O(2), one O(4), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(10)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the thirteenth Li site, Li(13) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the fourteenth Li site, Li(14) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(6), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(7), one O(9), and one F(2) atom to form MnO5F octahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(4)O3F tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(10)O4 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(11), one Li(14), one Li(2), one Li(3), one Li(7), and one Mn(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(13), one Li(4), one Li(8), and one Mn(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(13), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(12), one Li(14), one Li(4), one Li(6), one Li(8), one Li(9), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(11), one Li(13), one Li(5), one Li(7), one Li(9), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(10), one Li(12), one Li(14), one Li(6), one Li(8), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(13), one Li(4), one Li(7), one Li(9), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(3), one Li(8), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted pentagonal pyramidal geometry to one Li(1), one Li(12), one Li(13), one Li(5), one Li(9), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted pentagonal pyramidal geometry to one Li(10), one Li(11), one Li(14), one Li(2), one Li(6), and one Mn(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li7MnO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   5.584
_cell_length_c   5.676
_cell_angle_alpha   61.129
_cell_angle_beta   61.665
_cell_angle_gamma   61.307
_symmetry_Int_Tables_number   1
_cell_volume   127.279
_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
  F  F0  1  0.899  0.622  0.273  1.0
  Li  Li1  1  0.884  0.258  0.350  1.0
  Li  Li2  1  0.503  0.889  0.341  1.0
  Li  Li3  1  0.747  0.506  0.699  1.0
  Li  Li4  1  0.308  0.540  0.275  1.0
  Li  Li5  1  0.506  0.064  0.659  1.0
  Li  Li6  1  0.064  0.768  0.670  1.0
  Li  Li7  1  0.366  0.307  0.960  1.0
  Mn  Mn8  1  0.002  0.029  0.987  1.0
  O  O9  1  0.201  0.937  0.238  1.0
  O  O10  1  0.345  0.764  0.787  1.0
  O  O11  1  0.119  0.358  0.755  1.0
  O  O12  1  0.637  0.204  0.234  1.0
  O  O13  1  0.773  0.112  0.763  1.0
[/CIF]
.
The material structure described by Li7MnO5F crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(7), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent Li(4)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-54°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(8), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(4)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Mn(2)O5F octahedra,  a cornercorner with one Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(7), and one F(2) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(1)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), one O(9), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(4), one O(6), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one F(1) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(8), and one F(2) atom. In the ninth Li site, Li(9) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 22-53°. In the tenth Li site, Li(10) is bonded to one O(10), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(2)O5F octahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 22-53°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(10), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 30-54°. In the twelfth Li site, Li(12) is bonded to one O(2), one O(4), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Li(10)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the thirteenth Li site, Li(13) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the fourteenth Li site, Li(14) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(6), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(7), one O(9), and one F(2) atom to form MnO5F octahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(4)O3F tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(10)O4 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(11), one Li(14), one Li(2), one Li(3), one Li(7), and one Mn(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(13), one Li(4), one Li(8), and one Mn(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(13), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(12), one Li(14), one Li(4), one Li(6), one Li(8), one Li(9), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(11), one Li(13), one Li(5), one Li(7), one Li(9), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(10), one Li(12), one Li(14), one Li(6), one Li(8), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(13), one Li(4), one Li(7), one Li(9), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(3), one Li(8), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted pentagonal pyramidal geometry to one Li(1), one Li(12), one Li(13), one Li(5), one Li(9), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted pentagonal pyramidal geometry to one Li(10), one Li(11), one Li(14), one Li(2), one Li(6), and one Mn(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), and one Mn(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li7MnO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   5.584
_cell_length_c   5.676
_cell_angle_alpha   61.129
_cell_angle_beta   61.665
_cell_angle_gamma   61.307
_symmetry_Int_Tables_number   1
_cell_volume   127.279
_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
  F  F0  1  0.899  0.622  0.273  1.0
  Li  Li1  1  0.884  0.258  0.350  1.0
  Li  Li2  1  0.503  0.889  0.341  1.0
  Li  Li3  1  0.747  0.506  0.699  1.0
  Li  Li4  1  0.308  0.540  0.275  1.0
  Li  Li5  1  0.506  0.064  0.659  1.0
  Li  Li6  1  0.064  0.768  0.670  1.0
  Li  Li7  1  0.366  0.307  0.960  1.0
  Mn  Mn8  1  0.002  0.029  0.987  1.0
  O  O9  1  0.201  0.937  0.238  1.0
  O  O10  1  0.345  0.764  0.787  1.0
  O  O11  1  0.119  0.358  0.755  1.0
  O  O12  1  0.637  0.204  0.234  1.0
  O  O13  1  0.773  0.112  0.763  1.0
[/CIF]
.