The material structure described by Li5MnO3F is Corundum-derived structured and crystallizes in the triclinic P-1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(6), and two equivalent F(2) atoms. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(3), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), two equivalent O(4), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(6), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F tetrahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(5), one O(6), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the ninth Li site, Li(9) is bonded to one O(1), two equivalent O(3), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the tenth Li site, Li(10) is bonded to one O(2), two equivalent O(4), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(5), one Li(7), one Li(9), one Mn(1), and one Mn(2) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(5)Li5Mn octahedra,  a cornercorner with one O(6)Li5Mn octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(3)Li5Mn octahedra, and edges with two equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-39°. In the second O site, O(2) is bonded to one Li(10), one Li(4), one Li(6), one Li(8), one Mn(1), and one Mn(2) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(5)Li5Mn octahedra,  a cornercorner with one O(6)Li5Mn octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(4)Li5Mn octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-39°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(9), and one Mn(2) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(5)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li5Mn octahedra, and edges with two equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 8-42°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(10), two equivalent Li(4), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(4)Li5Mn octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-38°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Li(7), one Li(8), and one Mn(2) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(3)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra,  an edgeedge with one F(2)Li6 octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-39°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Li(8), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra,  an edgeedge with one F(2)Li6 octahedra, and edges with two equivalent O(5)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-40°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(5), one Li(7), one Li(9), and two equivalent Li(1) atoms to form distorted FLi6 octahedra that share corners with two equivalent O(3)Li5Mn octahedra, corners with two equivalent O(5)Li5Mn octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-42°. In the second F site, F(2) is bonded to one Li(10), one Li(4), one Li(6), one Li(8), and two equivalent Li(2) atoms to form distorted FLi6 octahedra that share corners with two equivalent O(4)Li5Mn octahedra, corners with two equivalent O(6)Li5Mn octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 7-40°. is represented by the CIF card [CIF]
data_Li5MnO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   6.786
_cell_length_c   13.474
_cell_angle_alpha   94.012
_cell_angle_beta   98.731
_cell_angle_gamma   78.690
_symmetry_Int_Tables_number   1
_cell_volume   420.262
_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  0.731  0.486  0.241  1.0
  Li  Li1  1  0.253  0.477  0.741  1.0
  Li  Li2  1  0.144  0.764  0.384  1.0
  Li  Li3  1  0.622  0.773  0.884  1.0
  Li  Li4  1  0.503  0.973  0.266  1.0
  Li  Li5  1  0.020  0.967  0.772  1.0
  Li  Li6  1  0.144  0.715  0.138  1.0
  Li  Li7  1  0.650  0.709  0.642  1.0
  Li  Li8  1  0.372  0.277  0.359  1.0
  Li  Li9  1  0.855  0.283  0.853  1.0
  Li  Li10  1  0.731  0.535  0.487  1.0
  Li  Li11  1  0.225  0.541  0.983  1.0
  Li  Li12  1  0.592  0.785  0.100  1.0
  Li  Li13  1  0.104  0.777  0.607  1.0
  Li  Li14  1  0.891  0.209  0.390  1.0
  Li  Li15  1  0.379  0.205  0.890  1.0
  Li  Li16  1  0.771  0.473  0.018  1.0
  Li  Li17  1  0.283  0.465  0.525  1.0
  Li  Li18  1  0.984  0.041  0.235  1.0
  Li  Li19  1  0.496  0.045  0.735  1.0
  Mn  Mn20  1  0.892  0.247  0.626  1.0
  Mn  Mn21  1  0.983  0.003  0.999  1.0
  Mn  Mn22  1  0.416  0.240  0.118  1.0
  Mn  Mn23  1  0.459  0.010  0.507  1.0
  O  O24  1  0.241  0.977  0.130  1.0
  O  O25  1  0.781  0.982  0.641  1.0
  O  O26  1  0.634  0.273  0.495  1.0
  O  O27  1  0.094  0.268  0.984  1.0
  O  O28  1  0.639  0.226  0.264  1.0
  O  O29  1  0.136  0.223  0.757  1.0
  O  O30  1  0.489  0.529  0.109  1.0
  O  O31  1  0.988  0.511  0.615  1.0
  O  O32  1  0.886  0.739  0.010  1.0
  O  O33  1  0.386  0.721  0.516  1.0
  O  O34  1  0.236  0.024  0.361  1.0
  O  O35  1  0.739  0.027  0.868  1.0
  F  F36  1  0.858  0.769  0.239  1.0
  F  F37  1  0.373  0.770  0.741  1.0
  F  F38  1  0.017  0.481  0.386  1.0
  F  F39  1  0.502  0.480  0.884  1.0
[/CIF]
.
The material structure described by Li5MnO3F is Corundum-derived structured and crystallizes in the triclinic P-1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(6), and two equivalent F(2) atoms. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(3), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), two equivalent O(4), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(6), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F tetrahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(5), one O(6), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the ninth Li site, Li(9) is bonded to one O(1), two equivalent O(3), and one F(1) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. In the tenth Li site, Li(10) is bonded to one O(2), two equivalent O(4), and one F(2) atom to form a mixture of distorted corner and edge-sharing LiO3F trigonal pyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(5), one Li(7), one Li(9), one Mn(1), and one Mn(2) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(5)Li5Mn octahedra,  a cornercorner with one O(6)Li5Mn octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(3)Li5Mn octahedra, and edges with two equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-39°. In the second O site, O(2) is bonded to one Li(10), one Li(4), one Li(6), one Li(8), one Mn(1), and one Mn(2) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(5)Li5Mn octahedra,  a cornercorner with one O(6)Li5Mn octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(4)Li5Mn octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-39°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(9), and one Mn(2) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(5)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li5Mn octahedra, and edges with two equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 8-42°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(10), two equivalent Li(4), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(4)Li5Mn octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-38°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Li(7), one Li(8), and one Mn(2) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(3)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra,  an edgeedge with one F(2)Li6 octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-39°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Li(8), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra,  an edgeedge with one F(2)Li6 octahedra, and edges with two equivalent O(5)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-40°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(5), one Li(7), one Li(9), and two equivalent Li(1) atoms to form distorted FLi6 octahedra that share corners with two equivalent O(3)Li5Mn octahedra, corners with two equivalent O(5)Li5Mn octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-42°. In the second F site, F(2) is bonded to one Li(10), one Li(4), one Li(6), one Li(8), and two equivalent Li(2) atoms to form distorted FLi6 octahedra that share corners with two equivalent O(4)Li5Mn octahedra, corners with two equivalent O(6)Li5Mn octahedra,  an edgeedge with one O(5)Li5Mn octahedra,  an edgeedge with one O(6)Li5Mn octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, and edges with two equivalent O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 7-40°. is represented by the CIF card [CIF]
data_Li5MnO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   6.786
_cell_length_c   13.474
_cell_angle_alpha   94.012
_cell_angle_beta   98.731
_cell_angle_gamma   78.690
_symmetry_Int_Tables_number   1
_cell_volume   420.262
_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  0.731  0.486  0.241  1.0
  Li  Li1  1  0.253  0.477  0.741  1.0
  Li  Li2  1  0.144  0.764  0.384  1.0
  Li  Li3  1  0.622  0.773  0.884  1.0
  Li  Li4  1  0.503  0.973  0.266  1.0
  Li  Li5  1  0.020  0.967  0.772  1.0
  Li  Li6  1  0.144  0.715  0.138  1.0
  Li  Li7  1  0.650  0.709  0.642  1.0
  Li  Li8  1  0.372  0.277  0.359  1.0
  Li  Li9  1  0.855  0.283  0.853  1.0
  Li  Li10  1  0.731  0.535  0.487  1.0
  Li  Li11  1  0.225  0.541  0.983  1.0
  Li  Li12  1  0.592  0.785  0.100  1.0
  Li  Li13  1  0.104  0.777  0.607  1.0
  Li  Li14  1  0.891  0.209  0.390  1.0
  Li  Li15  1  0.379  0.205  0.890  1.0
  Li  Li16  1  0.771  0.473  0.018  1.0
  Li  Li17  1  0.283  0.465  0.525  1.0
  Li  Li18  1  0.984  0.041  0.235  1.0
  Li  Li19  1  0.496  0.045  0.735  1.0
  Mn  Mn20  1  0.892  0.247  0.626  1.0
  Mn  Mn21  1  0.983  0.003  0.999  1.0
  Mn  Mn22  1  0.416  0.240  0.118  1.0
  Mn  Mn23  1  0.459  0.010  0.507  1.0
  O  O24  1  0.241  0.977  0.130  1.0
  O  O25  1  0.781  0.982  0.641  1.0
  O  O26  1  0.634  0.273  0.495  1.0
  O  O27  1  0.094  0.268  0.984  1.0
  O  O28  1  0.639  0.226  0.264  1.0
  O  O29  1  0.136  0.223  0.757  1.0
  O  O30  1  0.489  0.529  0.109  1.0
  O  O31  1  0.988  0.511  0.615  1.0
  O  O32  1  0.886  0.739  0.010  1.0
  O  O33  1  0.386  0.721  0.516  1.0
  O  O34  1  0.236  0.024  0.361  1.0
  O  O35  1  0.739  0.027  0.868  1.0
  F  F36  1  0.858  0.769  0.239  1.0
  F  F37  1  0.373  0.770  0.741  1.0
  F  F38  1  0.017  0.481  0.386  1.0
  F  F39  1  0.502  0.480  0.884  1.0
[/CIF]
.