The crystal structure described by Li2MnO2F crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(1) and four equivalent F(1) atoms to form LiOF4 trigonal bipyramids that share corners with two equivalent Mn(1)O5F octahedra, corners with four equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Mn(1)O5F octahedra, and edges with four equivalent Li(2)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 76°. Mn(1) is bonded to two equivalent O(1), three equivalent O(2), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(1)O5F octahedra, corners with two equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Mn(1)O5F octahedra, and edges with two equivalent Li(2)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and two equivalent Mn(1) atoms to form distorted OLi3Mn2 square pyramids that share corners with two equivalent O(2)Li2Mn3 square pyramids, corners with four equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent F(1)Li4Mn trigonal bipyramids, edges with four equivalent O(2)Li2Mn3 square pyramids, and edges with two equivalent F(1)Li4Mn trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Mn(1) atoms to form OLi2Mn3 square pyramids that share corners with two equivalent O(1)Li3Mn2 square pyramids, corners with four equivalent O(2)Li2Mn3 square pyramids, corners with three equivalent F(1)Li4Mn trigonal bipyramids, edges with two equivalent O(2)Li2Mn3 square pyramids, and edges with four equivalent O(1)Li3Mn2 square pyramids. F(1) is bonded to four equivalent Li(2) and one Mn(1) atom to form FLi4Mn trigonal bipyramids that share corners with two equivalent O(1)Li3Mn2 square pyramids, corners with three equivalent O(2)Li2Mn3 square pyramids, corners with four equivalent F(1)Li4Mn trigonal bipyramids, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with four equivalent F(1)Li4Mn trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   3.918
_cell_length_c   7.826
_cell_angle_alpha   89.989
_cell_angle_beta   75.514
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   116.239
_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
  F  F0  1  0.680  0.500  0.639  1.0
  F  F1  1  0.153  1.000  0.694  1.0
  Li  Li2  1  0.497  0.500  0.006  1.0
  Li  Li3  1  0.336  1.000  0.328  1.0
  Li  Li4  1  0.186  0.500  0.627  1.0
  Li  Li5  1  0.647  1.000  0.706  1.0
  Mn  Mn6  1  0.998  0.000  0.005  1.0
  Mn  Mn7  1  0.836  0.500  0.328  1.0
  O  O8  1  0.514  0.000  0.973  1.0
  O  O9  1  0.320  0.500  0.360  1.0
  O  O10  1  0.984  0.500  0.032  1.0
  O  O11  1  0.850  1.000  0.300  1.0
[/CIF]
.
The crystal structure described by Li2MnO2F crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(1) and four equivalent F(1) atoms to form LiOF4 trigonal bipyramids that share corners with two equivalent Mn(1)O5F octahedra, corners with four equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Mn(1)O5F octahedra, and edges with four equivalent Li(2)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 76°. Mn(1) is bonded to two equivalent O(1), three equivalent O(2), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(1)O5F octahedra, corners with two equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Mn(1)O5F octahedra, and edges with two equivalent Li(2)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and two equivalent Mn(1) atoms to form distorted OLi3Mn2 square pyramids that share corners with two equivalent O(2)Li2Mn3 square pyramids, corners with four equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent F(1)Li4Mn trigonal bipyramids, edges with four equivalent O(2)Li2Mn3 square pyramids, and edges with two equivalent F(1)Li4Mn trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Mn(1) atoms to form OLi2Mn3 square pyramids that share corners with two equivalent O(1)Li3Mn2 square pyramids, corners with four equivalent O(2)Li2Mn3 square pyramids, corners with three equivalent F(1)Li4Mn trigonal bipyramids, edges with two equivalent O(2)Li2Mn3 square pyramids, and edges with four equivalent O(1)Li3Mn2 square pyramids. F(1) is bonded to four equivalent Li(2) and one Mn(1) atom to form FLi4Mn trigonal bipyramids that share corners with two equivalent O(1)Li3Mn2 square pyramids, corners with three equivalent O(2)Li2Mn3 square pyramids, corners with four equivalent F(1)Li4Mn trigonal bipyramids, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with four equivalent F(1)Li4Mn trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   3.918
_cell_length_c   7.826
_cell_angle_alpha   89.989
_cell_angle_beta   75.514
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   116.239
_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
  F  F0  1  0.680  0.500  0.639  1.0
  F  F1  1  0.153  1.000  0.694  1.0
  Li  Li2  1  0.497  0.500  0.006  1.0
  Li  Li3  1  0.336  1.000  0.328  1.0
  Li  Li4  1  0.186  0.500  0.627  1.0
  Li  Li5  1  0.647  1.000  0.706  1.0
  Mn  Mn6  1  0.998  0.000  0.005  1.0
  Mn  Mn7  1  0.836  0.500  0.328  1.0
  O  O8  1  0.514  0.000  0.973  1.0
  O  O9  1  0.320  0.500  0.360  1.0
  O  O10  1  0.984  0.500  0.032  1.0
  O  O11  1  0.850  1.000  0.300  1.0
[/CIF]
.