The crystal structure described by LiMn2O3F crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(6), one F(1), and one F(2) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one F(2) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form MnO5F octahedra that share edges with two equivalent Mn(1)O5F octahedra and edges with four equivalent Mn(2)O4F2 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share edges with two equivalent Mn(2)O4F2 octahedra and edges with four equivalent Mn(1)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(5), one O(6), two equivalent O(4), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share edges with two equivalent Mn(3)O4F2 octahedra and edges with four equivalent Mn(4)O5F octahedra. In the fourth Mn site, Mn(4) is bonded to one O(4), two equivalent O(5), two equivalent O(6), and one F(2) atom to form MnO5F octahedra that share edges with two equivalent Mn(4)O5F octahedra and edges with four equivalent Mn(3)O4F2 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLi2Mn3 trigonal bipyramids that share corners with two equivalent O(2)Li2Mn3 trigonal bipyramids,  a cornercorner with one O(4)LiMn3 trigonal pyramid,  a cornercorner with one O(5)LiMn3 trigonal pyramid, and  a cornercorner with one O(6)LiMn3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Mn(4), and two equivalent Mn(3) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid,  a cornercorner with one O(6)LiMn3 trigonal pyramid, corners with two equivalent O(4)LiMn3 trigonal pyramids, corners with two equivalent O(5)LiMn3 trigonal pyramids,  an edgeedge with one O(5)LiMn3 trigonal pyramid, and edges with two equivalent O(6)LiMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Mn(3), and two equivalent Mn(4) atoms to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid, corners with two equivalent O(4)LiMn3 trigonal pyramids, corners with two equivalent O(5)LiMn3 trigonal pyramids, corners with three equivalent O(6)LiMn3 trigonal pyramids,  an edgeedge with one O(4)LiMn3 trigonal pyramid, and  an edgeedge with one O(6)LiMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid,  a cornercorner with one O(4)LiMn3 trigonal pyramid, corners with two equivalent O(6)LiMn3 trigonal pyramids, corners with three equivalent O(5)LiMn3 trigonal pyramids,  an edgeedge with one O(5)LiMn3 trigonal pyramid, and edges with two equivalent O(4)LiMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Mn(4), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   5.361
_cell_length_c   10.587
_cell_angle_alpha   88.750
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.420
_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  0.057  0.572  0.767  1.0
  Li  Li1  1  0.551  0.122  0.736  1.0
  Li  Li2  1  0.051  0.878  0.264  1.0
  Li  Li3  1  0.557  0.428  0.233  1.0
  Mn  Mn4  1  0.498  0.514  0.508  1.0
  Mn  Mn5  1  0.248  0.002  0.506  1.0
  Mn  Mn6  1  0.748  0.998  0.494  1.0
  Mn  Mn7  1  0.998  0.486  0.492  1.0
  Mn  Mn8  1  0.989  0.495  0.018  1.0
  Mn  Mn9  1  0.235  0.011  0.995  1.0
  Mn  Mn10  1  0.735  0.989  0.005  1.0
  Mn  Mn11  1  0.489  0.505  0.982  1.0
  O  O12  1  0.743  0.317  0.583  1.0
  O  O13  1  0.251  0.327  0.590  1.0
  O  O14  1  0.503  0.882  0.598  1.0
  O  O15  1  0.003  0.118  0.402  1.0
  O  O16  1  0.243  0.683  0.417  1.0
  O  O17  1  0.751  0.673  0.410  1.0
  O  O18  1  0.722  0.613  0.098  1.0
  O  O19  1  0.983  0.155  0.092  1.0
  O  O20  1  0.489  0.187  0.077  1.0
  O  O21  1  0.989  0.813  0.923  1.0
  O  O22  1  0.483  0.845  0.908  1.0
  O  O23  1  0.222  0.387  0.902  1.0
  F  F24  1  1.000  0.800  0.633  1.0
  F  F25  1  0.500  0.200  0.367  1.0
  F  F26  1  0.231  0.680  0.141  1.0
  F  F27  1  0.731  0.320  0.859  1.0
[/CIF]
.
The crystal structure described by LiMn2O3F crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(6), one F(1), and one F(2) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one F(2) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form MnO5F octahedra that share edges with two equivalent Mn(1)O5F octahedra and edges with four equivalent Mn(2)O4F2 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share edges with two equivalent Mn(2)O4F2 octahedra and edges with four equivalent Mn(1)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(5), one O(6), two equivalent O(4), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share edges with two equivalent Mn(3)O4F2 octahedra and edges with four equivalent Mn(4)O5F octahedra. In the fourth Mn site, Mn(4) is bonded to one O(4), two equivalent O(5), two equivalent O(6), and one F(2) atom to form MnO5F octahedra that share edges with two equivalent Mn(4)O5F octahedra and edges with four equivalent Mn(3)O4F2 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLi2Mn3 trigonal bipyramids that share corners with two equivalent O(2)Li2Mn3 trigonal bipyramids,  a cornercorner with one O(4)LiMn3 trigonal pyramid,  a cornercorner with one O(5)LiMn3 trigonal pyramid, and  a cornercorner with one O(6)LiMn3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Mn(4), and two equivalent Mn(3) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid,  a cornercorner with one O(6)LiMn3 trigonal pyramid, corners with two equivalent O(4)LiMn3 trigonal pyramids, corners with two equivalent O(5)LiMn3 trigonal pyramids,  an edgeedge with one O(5)LiMn3 trigonal pyramid, and edges with two equivalent O(6)LiMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Mn(3), and two equivalent Mn(4) atoms to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid, corners with two equivalent O(4)LiMn3 trigonal pyramids, corners with two equivalent O(5)LiMn3 trigonal pyramids, corners with three equivalent O(6)LiMn3 trigonal pyramids,  an edgeedge with one O(4)LiMn3 trigonal pyramid, and  an edgeedge with one O(6)LiMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li2Mn3 trigonal bipyramid,  a cornercorner with one O(4)LiMn3 trigonal pyramid, corners with two equivalent O(6)LiMn3 trigonal pyramids, corners with three equivalent O(5)LiMn3 trigonal pyramids,  an edgeedge with one O(5)LiMn3 trigonal pyramid, and edges with two equivalent O(4)LiMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Mn(4), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   5.361
_cell_length_c   10.587
_cell_angle_alpha   88.750
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.420
_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  0.057  0.572  0.767  1.0
  Li  Li1  1  0.551  0.122  0.736  1.0
  Li  Li2  1  0.051  0.878  0.264  1.0
  Li  Li3  1  0.557  0.428  0.233  1.0
  Mn  Mn4  1  0.498  0.514  0.508  1.0
  Mn  Mn5  1  0.248  0.002  0.506  1.0
  Mn  Mn6  1  0.748  0.998  0.494  1.0
  Mn  Mn7  1  0.998  0.486  0.492  1.0
  Mn  Mn8  1  0.989  0.495  0.018  1.0
  Mn  Mn9  1  0.235  0.011  0.995  1.0
  Mn  Mn10  1  0.735  0.989  0.005  1.0
  Mn  Mn11  1  0.489  0.505  0.982  1.0
  O  O12  1  0.743  0.317  0.583  1.0
  O  O13  1  0.251  0.327  0.590  1.0
  O  O14  1  0.503  0.882  0.598  1.0
  O  O15  1  0.003  0.118  0.402  1.0
  O  O16  1  0.243  0.683  0.417  1.0
  O  O17  1  0.751  0.673  0.410  1.0
  O  O18  1  0.722  0.613  0.098  1.0
  O  O19  1  0.983  0.155  0.092  1.0
  O  O20  1  0.489  0.187  0.077  1.0
  O  O21  1  0.989  0.813  0.923  1.0
  O  O22  1  0.483  0.845  0.908  1.0
  O  O23  1  0.222  0.387  0.902  1.0
  F  F24  1  1.000  0.800  0.633  1.0
  F  F25  1  0.500  0.200  0.367  1.0
  F  F26  1  0.231  0.680  0.141  1.0
  F  F27  1  0.731  0.320  0.859  1.0
[/CIF]
.