The material described by Li5MnO3F is Corundum-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent F(1) atoms. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-sharing LiO3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-sharing LiO3F trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-sharing LiO3F trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-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 two equivalent O(1) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form distorted OLi4Mn2 octahedra that share corners with two equivalent O(2)Li5Mn octahedra, corners with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(2)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 2-40°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(2) atom to form OLi5Mn octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(2)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 9-40°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(1) atom to form OLi5Mn octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(3)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-41°. F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Li(6) atom to form distorted FLi6 octahedra that share corners with two equivalent O(2)Li5Mn octahedra, corners with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-41°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5MnO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.743
_cell_length_b   6.795
_cell_length_c   6.795
_cell_angle_alpha   90.119
_cell_angle_beta   78.680
_cell_angle_gamma   78.680
_symmetry_Int_Tables_number   1
_cell_volume   210.382
_cell_formula_units_Z   2
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  0.490  0.484  0.484  1.0
  Li  Li1  1  0.739  0.771  0.771  1.0
  Li  Li2  1  0.244  0.969  0.539  1.0
  Li  Li3  1  0.008  0.714  0.278  1.0
  Li  Li4  1  0.008  0.278  0.714  1.0
  Li  Li5  1  0.244  0.539  0.969  1.0
  Li  Li6  1  0.493  0.786  0.202  1.0
  Li  Li7  1  0.493  0.202  0.786  1.0
  Li  Li8  1  0.754  0.474  0.039  1.0
  Li  Li9  1  0.754  0.039  0.474  1.0
  Mn  Mn10  1  0.986  0.001  0.001  1.0
  Mn  Mn11  1  0.301  0.238  0.238  1.0
  O  O12  1  0.111  0.976  0.266  1.0
  O  O13  1  0.111  0.266  0.976  1.0
  O  O14  1  0.381  0.222  0.528  1.0
  O  O15  1  0.381  0.528  0.222  1.0
  O  O16  1  0.877  0.738  0.024  1.0
  O  O17  1  0.877  0.024  0.738  1.0
  F  F18  1  0.625  0.769  0.481  1.0
  F  F19  1  0.625  0.481  0.769  1.0
[/CIF]
.
The material described by Li5MnO3F is Corundum-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent F(1) atoms. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-sharing LiO3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-sharing LiO3F trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-sharing LiO3F trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form a mixture of distorted edge and corner-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 two equivalent O(1) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form distorted OLi4Mn2 octahedra that share corners with two equivalent O(2)Li5Mn octahedra, corners with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(2)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 2-40°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(2) atom to form OLi5Mn octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(2)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 9-40°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(1) atom to form OLi5Mn octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(3)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-41°. F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Li(6) atom to form distorted FLi6 octahedra that share corners with two equivalent O(2)Li5Mn octahedra, corners with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one F(1)Li6 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-41°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5MnO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.743
_cell_length_b   6.795
_cell_length_c   6.795
_cell_angle_alpha   90.119
_cell_angle_beta   78.680
_cell_angle_gamma   78.680
_symmetry_Int_Tables_number   1
_cell_volume   210.382
_cell_formula_units_Z   2
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  0.490  0.484  0.484  1.0
  Li  Li1  1  0.739  0.771  0.771  1.0
  Li  Li2  1  0.244  0.969  0.539  1.0
  Li  Li3  1  0.008  0.714  0.278  1.0
  Li  Li4  1  0.008  0.278  0.714  1.0
  Li  Li5  1  0.244  0.539  0.969  1.0
  Li  Li6  1  0.493  0.786  0.202  1.0
  Li  Li7  1  0.493  0.202  0.786  1.0
  Li  Li8  1  0.754  0.474  0.039  1.0
  Li  Li9  1  0.754  0.039  0.474  1.0
  Mn  Mn10  1  0.986  0.001  0.001  1.0
  Mn  Mn11  1  0.301  0.238  0.238  1.0
  O  O12  1  0.111  0.976  0.266  1.0
  O  O13  1  0.111  0.266  0.976  1.0
  O  O14  1  0.381  0.222  0.528  1.0
  O  O15  1  0.381  0.528  0.222  1.0
  O  O16  1  0.877  0.738  0.024  1.0
  O  O17  1  0.877  0.024  0.738  1.0
  F  F18  1  0.625  0.769  0.481  1.0
  F  F19  1  0.625  0.481  0.769  1.0
[/CIF]
.