The material described by LiMn2O2F3 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one F(1), one F(5), one F(6), and two equivalent F(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(4), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(3)O5F octahedra, and edges with three equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-63°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(3), one F(1), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 21-63°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), two equivalent O(1), and one F(6) atom to form MnO5F octahedra that share  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 21-40°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one F(3), one F(5), and two equivalent F(2) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(3)O5F octahedra, and edges with three equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 24°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Mn(3), one Mn(4), and two equivalent Mn(1) atoms to form distorted OMn4 trigonal pyramids that share  a cornercorner with one F(5)Li3Mn trigonal pyramid, corners with two equivalent O(4)Mn4 trigonal pyramids, and edges with two equivalent F(2)LiMn3 trigonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the second F site, F(2) is bonded to one Li(1), one Mn(1), and two equivalent Mn(4) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one F(4)Li3Mn trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, edges with two equivalent O(4)Mn4 trigonal pyramids, and edges with two equivalent F(5)Li3Mn trigonal pyramids. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Li(2), and one Mn(2) atom to form FLi3Mn trigonal pyramids that share  a cornercorner with one F(2)LiMn3 trigonal pyramid, corners with two equivalent F(4)Li3Mn trigonal pyramids, and edges with two equivalent F(5)Li3Mn trigonal pyramids. In the fifth F site, F(5) is bonded to one Li(2), two equivalent Li(1), and one Mn(4) atom to form FLi3Mn trigonal pyramids that share  a cornercorner with one O(4)Mn4 trigonal pyramid, corners with two equivalent F(5)Li3Mn trigonal pyramids, edges with two equivalent F(4)Li3Mn trigonal pyramids, and edges with two equivalent F(2)LiMn3 trigonal pyramids. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one Mn(3) atom. is represented by the CIF file [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.423
_cell_length_b   5.423
_cell_length_c   9.930
_cell_angle_alpha   87.749
_cell_angle_beta   87.749
_cell_angle_gamma   42.422
_symmetry_Int_Tables_number   1
_cell_volume   196.840
_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  0.697  0.697  0.233  1.0
  Li  Li1  1  0.370  0.370  0.070  1.0
  Mn  Mn2  1  0.634  0.634  0.584  1.0
  Mn  Mn3  1  0.653  0.653  0.933  1.0
  Mn  Mn4  1  0.302  0.302  0.750  1.0
  Mn  Mn5  1  0.363  0.363  0.439  1.0
  O  O6  1  0.750  0.750  0.754  1.0
  O  O7  1  0.436  0.436  0.609  1.0
  O  O8  1  0.181  0.181  0.907  1.0
  O  O9  1  0.184  0.184  0.591  1.0
  F  F10  1  0.557  0.557  0.105  1.0
  F  F11  1  0.823  0.823  0.441  1.0
  F  F12  1  0.562  0.562  0.386  1.0
  F  F13  1  0.814  0.814  0.065  1.0
  F  F14  1  0.280  0.280  0.267  1.0
  F  F15  1  0.449  0.449  0.869  1.0
[/CIF]
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The material described by LiMn2O2F3 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one F(1), one F(5), one F(6), and two equivalent F(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(4), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(3)O5F octahedra, and edges with three equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-63°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(3), one F(1), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 21-63°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), two equivalent O(1), and one F(6) atom to form MnO5F octahedra that share  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 21-40°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one F(3), one F(5), and two equivalent F(2) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(3)O5F octahedra, and edges with three equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 24°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Mn(3), one Mn(4), and two equivalent Mn(1) atoms to form distorted OMn4 trigonal pyramids that share  a cornercorner with one F(5)Li3Mn trigonal pyramid, corners with two equivalent O(4)Mn4 trigonal pyramids, and edges with two equivalent F(2)LiMn3 trigonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the second F site, F(2) is bonded to one Li(1), one Mn(1), and two equivalent Mn(4) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one F(4)Li3Mn trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids, edges with two equivalent O(4)Mn4 trigonal pyramids, and edges with two equivalent F(5)Li3Mn trigonal pyramids. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Li(2), and one Mn(2) atom to form FLi3Mn trigonal pyramids that share  a cornercorner with one F(2)LiMn3 trigonal pyramid, corners with two equivalent F(4)Li3Mn trigonal pyramids, and edges with two equivalent F(5)Li3Mn trigonal pyramids. In the fifth F site, F(5) is bonded to one Li(2), two equivalent Li(1), and one Mn(4) atom to form FLi3Mn trigonal pyramids that share  a cornercorner with one O(4)Mn4 trigonal pyramid, corners with two equivalent F(5)Li3Mn trigonal pyramids, edges with two equivalent F(4)Li3Mn trigonal pyramids, and edges with two equivalent F(2)LiMn3 trigonal pyramids. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one Mn(3) atom. is represented by the CIF file [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.423
_cell_length_b   5.423
_cell_length_c   9.930
_cell_angle_alpha   87.749
_cell_angle_beta   87.749
_cell_angle_gamma   42.422
_symmetry_Int_Tables_number   1
_cell_volume   196.840
_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  0.697  0.697  0.233  1.0
  Li  Li1  1  0.370  0.370  0.070  1.0
  Mn  Mn2  1  0.634  0.634  0.584  1.0
  Mn  Mn3  1  0.653  0.653  0.933  1.0
  Mn  Mn4  1  0.302  0.302  0.750  1.0
  Mn  Mn5  1  0.363  0.363  0.439  1.0
  O  O6  1  0.750  0.750  0.754  1.0
  O  O7  1  0.436  0.436  0.609  1.0
  O  O8  1  0.181  0.181  0.907  1.0
  O  O9  1  0.184  0.184  0.591  1.0
  F  F10  1  0.557  0.557  0.105  1.0
  F  F11  1  0.823  0.823  0.441  1.0
  F  F12  1  0.562  0.562  0.386  1.0
  F  F13  1  0.814  0.814  0.065  1.0
  F  F14  1  0.280  0.280  0.267  1.0
  F  F15  1  0.449  0.449  0.869  1.0
[/CIF]
.