The structure described by LiMn2O3F crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(3)O5F octahedra, and  a cornercorner with one Li(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(5), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(3)O5F octahedra, and  a cornercorner with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), four equivalent O(1), and one F(3) atom to form distorted MnO5F octahedra that share corners with two equivalent Li(2)O3F tetrahedra, corners with four equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with four equivalent Mn(3)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(2) atom to form MnO5F octahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra, and edges with four equivalent Mn(3)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with three equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth Mn site, Mn(4) is bonded to one O(4), four equivalent O(5), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with four equivalent Li(2)O3F tetrahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with four equivalent Mn(3)O5F octahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Li(2), one Mn(2), one Mn(3), and one Mn(4) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(2)Mn5 square pyramid, corners with three equivalent O(1)LiMn3 tetrahedra, corners with three equivalent O(5)LiMn3 tetrahedra,  an edgeedge with one O(4)Mn5 square pyramid, and  an edgeedge with one O(5)LiMn3 tetrahedra. In the second O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(4)Mn5 square pyramid, corners with three equivalent O(1)LiMn3 tetrahedra, corners with three equivalent O(5)LiMn3 tetrahedra,  an edgeedge with one O(2)Mn5 square pyramid, and  an edgeedge with one O(1)LiMn3 tetrahedra. In the third O site, O(2) is bonded to one Mn(1) and four equivalent Mn(3) atoms to form OMn5 square pyramids that share corners with four equivalent O(5)LiMn3 tetrahedra, edges with two equivalent O(4)Mn5 square pyramids, and edges with four equivalent O(1)LiMn3 tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Mn(3) atoms. In the fifth O site, O(4) is bonded to one Mn(4) and four equivalent Mn(3) atoms to form OMn5 square pyramids that share corners with four equivalent O(1)LiMn3 tetrahedra, edges with two equivalent O(2)Mn5 square pyramids, and edges with four equivalent O(5)LiMn3 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(4) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.933
_cell_length_b   7.933
_cell_length_c   7.933
_cell_angle_alpha   134.691
_cell_angle_beta   114.957
_cell_angle_gamma   82.807
_symmetry_Int_Tables_number   1
_cell_volume   310.220
_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  0.276  0.377  0.898  1.0
  Li  Li1  1  0.521  0.623  0.898  1.0
  Li  Li2  1  0.983  0.871  0.112  1.0
  Li  Li3  1  0.241  0.129  0.112  1.0
  Mn  Mn4  1  0.486  0.000  0.486  1.0
  Mn  Mn5  1  0.242  0.750  0.493  1.0
  Mn  Mn6  1  0.743  0.250  0.493  1.0
  Mn  Mn7  1  0.624  0.619  0.492  1.0
  Mn  Mn8  1  0.624  0.133  0.006  1.0
  Mn  Mn9  1  0.873  0.867  0.492  1.0
  Mn  Mn10  1  0.873  0.381  0.006  1.0
  Mn  Mn11  1  0.013  0.500  0.513  1.0
  O  O12  1  0.394  0.661  0.308  1.0
  O  O13  1  0.647  0.915  0.308  1.0
  O  O14  1  0.394  0.085  0.733  1.0
  O  O15  1  0.647  0.339  0.733  1.0
  O  O16  1  0.753  0.000  0.753  1.0
  O  O17  1  0.975  0.734  0.241  1.0
  O  O18  1  0.508  0.266  0.241  1.0
  O  O19  1  0.742  0.500  0.242  1.0
  O  O20  1  0.854  0.161  0.264  1.0
  O  O21  1  0.104  0.411  0.264  1.0
  O  O22  1  0.854  0.589  0.693  1.0
  O  O23  1  0.104  0.839  0.693  1.0
  F  F24  1  0.260  0.500  0.760  1.0
  F  F25  1  0.512  0.750  0.762  1.0
  F  F26  1  0.011  0.250  0.762  1.0
  F  F27  1  0.242  0.000  0.242  1.0
[/CIF]
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The structure described by LiMn2O3F crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(3)O5F octahedra, and  a cornercorner with one Li(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(5), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Mn(1)O5F octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(3)O5F octahedra, and  a cornercorner with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), four equivalent O(1), and one F(3) atom to form distorted MnO5F octahedra that share corners with two equivalent Li(2)O3F tetrahedra, corners with four equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with four equivalent Mn(3)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(2) atom to form MnO5F octahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra, and edges with four equivalent Mn(3)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with three equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth Mn site, Mn(4) is bonded to one O(4), four equivalent O(5), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with four equivalent Li(2)O3F tetrahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with four equivalent Mn(3)O5F octahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Li(2), one Mn(2), one Mn(3), and one Mn(4) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(2)Mn5 square pyramid, corners with three equivalent O(1)LiMn3 tetrahedra, corners with three equivalent O(5)LiMn3 tetrahedra,  an edgeedge with one O(4)Mn5 square pyramid, and  an edgeedge with one O(5)LiMn3 tetrahedra. In the second O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(4)Mn5 square pyramid, corners with three equivalent O(1)LiMn3 tetrahedra, corners with three equivalent O(5)LiMn3 tetrahedra,  an edgeedge with one O(2)Mn5 square pyramid, and  an edgeedge with one O(1)LiMn3 tetrahedra. In the third O site, O(2) is bonded to one Mn(1) and four equivalent Mn(3) atoms to form OMn5 square pyramids that share corners with four equivalent O(5)LiMn3 tetrahedra, edges with two equivalent O(4)Mn5 square pyramids, and edges with four equivalent O(1)LiMn3 tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Mn(3) atoms. In the fifth O site, O(4) is bonded to one Mn(4) and four equivalent Mn(3) atoms to form OMn5 square pyramids that share corners with four equivalent O(1)LiMn3 tetrahedra, edges with two equivalent O(2)Mn5 square pyramids, and edges with four equivalent O(5)LiMn3 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(4) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.933
_cell_length_b   7.933
_cell_length_c   7.933
_cell_angle_alpha   134.691
_cell_angle_beta   114.957
_cell_angle_gamma   82.807
_symmetry_Int_Tables_number   1
_cell_volume   310.220
_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  0.276  0.377  0.898  1.0
  Li  Li1  1  0.521  0.623  0.898  1.0
  Li  Li2  1  0.983  0.871  0.112  1.0
  Li  Li3  1  0.241  0.129  0.112  1.0
  Mn  Mn4  1  0.486  0.000  0.486  1.0
  Mn  Mn5  1  0.242  0.750  0.493  1.0
  Mn  Mn6  1  0.743  0.250  0.493  1.0
  Mn  Mn7  1  0.624  0.619  0.492  1.0
  Mn  Mn8  1  0.624  0.133  0.006  1.0
  Mn  Mn9  1  0.873  0.867  0.492  1.0
  Mn  Mn10  1  0.873  0.381  0.006  1.0
  Mn  Mn11  1  0.013  0.500  0.513  1.0
  O  O12  1  0.394  0.661  0.308  1.0
  O  O13  1  0.647  0.915  0.308  1.0
  O  O14  1  0.394  0.085  0.733  1.0
  O  O15  1  0.647  0.339  0.733  1.0
  O  O16  1  0.753  0.000  0.753  1.0
  O  O17  1  0.975  0.734  0.241  1.0
  O  O18  1  0.508  0.266  0.241  1.0
  O  O19  1  0.742  0.500  0.242  1.0
  O  O20  1  0.854  0.161  0.264  1.0
  O  O21  1  0.104  0.411  0.264  1.0
  O  O22  1  0.854  0.589  0.693  1.0
  O  O23  1  0.104  0.839  0.693  1.0
  F  F24  1  0.260  0.500  0.760  1.0
  F  F25  1  0.512  0.750  0.762  1.0
  F  F26  1  0.011  0.250  0.762  1.0
  F  F27  1  0.242  0.000  0.242  1.0
[/CIF]
.