The material described by LiMn2O2F3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. Mn(1) is bonded to three equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 21-49°. O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 trigonal pyramid, corners with three equivalent O(1)LiMn3 trigonal pyramids, edges with two equivalent O(1)LiMn3 trigonal pyramids, and edges with two equivalent F(1)Li2Mn2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with two equivalent O(1)LiMn3 trigonal pyramids, corners with two equivalent F(1)Li2Mn2 trigonal pyramids, and edges with four equivalent O(1)LiMn3 trigonal pyramids. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.796
_cell_length_b   5.278
_cell_length_c   10.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   68.925
_symmetry_Int_Tables_number   1
_cell_volume   197.708
_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  0.831  0.338  0.250  1.0
  Li  Li1  1  0.169  0.662  0.750  1.0
  Mn  Mn2  1  0.844  0.312  0.942  1.0
  Mn  Mn3  1  0.156  0.688  0.442  1.0
  Mn  Mn4  1  0.844  0.312  0.558  1.0
  Mn  Mn5  1  0.156  0.688  0.058  1.0
  O  O6  1  0.692  0.617  0.443  1.0
  O  O7  1  0.692  0.617  0.057  1.0
  O  O8  1  0.308  0.383  0.557  1.0
  O  O9  1  0.308  0.383  0.943  1.0
  F  F10  1  0.751  0.499  0.750  1.0
  F  F11  1  0.249  0.501  0.250  1.0
  F  F12  1  0.972  0.056  0.120  1.0
  F  F13  1  0.972  0.056  0.380  1.0
  F  F14  1  0.028  0.944  0.620  1.0
  F  F15  1  0.028  0.944  0.880  1.0
[/CIF]
.
The material described by LiMn2O2F3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. Mn(1) is bonded to three equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 21-49°. O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 trigonal pyramid, corners with three equivalent O(1)LiMn3 trigonal pyramids, edges with two equivalent O(1)LiMn3 trigonal pyramids, and edges with two equivalent F(1)Li2Mn2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with two equivalent O(1)LiMn3 trigonal pyramids, corners with two equivalent F(1)Li2Mn2 trigonal pyramids, and edges with four equivalent O(1)LiMn3 trigonal pyramids. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.796
_cell_length_b   5.278
_cell_length_c   10.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   68.925
_symmetry_Int_Tables_number   1
_cell_volume   197.708
_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  0.831  0.338  0.250  1.0
  Li  Li1  1  0.169  0.662  0.750  1.0
  Mn  Mn2  1  0.844  0.312  0.942  1.0
  Mn  Mn3  1  0.156  0.688  0.442  1.0
  Mn  Mn4  1  0.844  0.312  0.558  1.0
  Mn  Mn5  1  0.156  0.688  0.058  1.0
  O  O6  1  0.692  0.617  0.443  1.0
  O  O7  1  0.692  0.617  0.057  1.0
  O  O8  1  0.308  0.383  0.557  1.0
  O  O9  1  0.308  0.383  0.943  1.0
  F  F10  1  0.751  0.499  0.750  1.0
  F  F11  1  0.249  0.501  0.250  1.0
  F  F12  1  0.972  0.056  0.120  1.0
  F  F13  1  0.972  0.056  0.380  1.0
  F  F14  1  0.028  0.944  0.620  1.0
  F  F15  1  0.028  0.944  0.880  1.0
[/CIF]
.