The material structure described by LiMnOF2 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent F(1) atoms to form distorted LiO2F2 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with two equivalent Li(1)O2F2 tetrahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-76°. In the second Li site, Li(2) is bonded to one F(2), one F(3), and two equivalent F(4) atoms to form distorted LiF4 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with two equivalent Li(2)F4 tetrahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-69°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, edges with three equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Li(2)F4 tetrahedra, and  an edgeedge with one Li(1)O2F2 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), one F(3), and two equivalent F(2) atoms to form distorted MnO3F3 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with three equivalent Mn(1)O2F4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form corner-sharing OLiMn3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one Mn(1) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(2) atoms. In the fourth F site, F(3) is bonded in a T-shaped geometry to one Li(2), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   9.004
_cell_length_c   10.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.732
_cell_formula_units_Z   8
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  0.448  0.338  0.548  1.0
  Li  Li1  1  0.948  0.162  0.548  1.0
  Li  Li2  1  0.948  0.662  0.452  1.0
  Li  Li3  1  0.448  0.838  0.452  1.0
  Li  Li4  1  0.530  0.682  0.061  1.0
  Li  Li5  1  0.030  0.818  0.061  1.0
  Li  Li6  1  0.030  0.318  0.939  1.0
  Li  Li7  1  0.530  0.182  0.939  1.0
  Mn  Mn8  1  0.755  0.497  0.737  1.0
  Mn  Mn9  1  0.249  0.660  0.735  1.0
  Mn  Mn10  1  0.749  0.840  0.735  1.0
  Mn  Mn11  1  0.255  0.003  0.737  1.0
  Mn  Mn12  1  0.249  0.160  0.265  1.0
  Mn  Mn13  1  0.755  0.997  0.263  1.0
  Mn  Mn14  1  0.255  0.503  0.263  1.0
  Mn  Mn15  1  0.749  0.340  0.265  1.0
  O  O16  1  0.900  0.672  0.655  1.0
  O  O17  1  0.400  0.828  0.655  1.0
  O  O18  1  0.453  0.520  0.664  1.0
  O  O19  1  0.953  0.980  0.664  1.0
  O  O20  1  0.953  0.480  0.336  1.0
  O  O21  1  0.453  0.020  0.336  1.0
  O  O22  1  0.900  0.172  0.345  1.0
  O  O23  1  0.400  0.328  0.345  1.0
  F  F24  1  0.276  0.175  0.602  1.0
  F  F25  1  0.776  0.325  0.602  1.0
  F  F26  1  0.776  0.825  0.398  1.0
  F  F27  1  0.276  0.675  0.398  1.0
  F  F28  1  0.109  0.309  0.125  1.0
  F  F29  1  0.609  0.191  0.125  1.0
  F  F30  1  0.579  0.506  0.170  1.0
  F  F31  1  0.079  0.994  0.170  1.0
  F  F32  1  0.701  0.847  0.120  1.0
  F  F33  1  0.201  0.653  0.120  1.0
  F  F34  1  0.701  0.347  0.880  1.0
  F  F35  1  0.201  0.153  0.880  1.0
  F  F36  1  0.079  0.494  0.830  1.0
  F  F37  1  0.579  0.006  0.830  1.0
  F  F38  1  0.609  0.691  0.875  1.0
  F  F39  1  0.109  0.809  0.875  1.0
[/CIF]
.
The material structure described by LiMnOF2 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent F(1) atoms to form distorted LiO2F2 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with two equivalent Li(1)O2F2 tetrahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-76°. In the second Li site, Li(2) is bonded to one F(2), one F(3), and two equivalent F(4) atoms to form distorted LiF4 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with two equivalent Li(2)F4 tetrahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-69°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, edges with three equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Li(2)F4 tetrahedra, and  an edgeedge with one Li(1)O2F2 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), one F(3), and two equivalent F(2) atoms to form distorted MnO3F3 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with three equivalent Mn(1)O2F4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form corner-sharing OLiMn3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one Mn(1) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(2) atoms. In the fourth F site, F(3) is bonded in a T-shaped geometry to one Li(2), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   9.004
_cell_length_c   10.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.732
_cell_formula_units_Z   8
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  0.448  0.338  0.548  1.0
  Li  Li1  1  0.948  0.162  0.548  1.0
  Li  Li2  1  0.948  0.662  0.452  1.0
  Li  Li3  1  0.448  0.838  0.452  1.0
  Li  Li4  1  0.530  0.682  0.061  1.0
  Li  Li5  1  0.030  0.818  0.061  1.0
  Li  Li6  1  0.030  0.318  0.939  1.0
  Li  Li7  1  0.530  0.182  0.939  1.0
  Mn  Mn8  1  0.755  0.497  0.737  1.0
  Mn  Mn9  1  0.249  0.660  0.735  1.0
  Mn  Mn10  1  0.749  0.840  0.735  1.0
  Mn  Mn11  1  0.255  0.003  0.737  1.0
  Mn  Mn12  1  0.249  0.160  0.265  1.0
  Mn  Mn13  1  0.755  0.997  0.263  1.0
  Mn  Mn14  1  0.255  0.503  0.263  1.0
  Mn  Mn15  1  0.749  0.340  0.265  1.0
  O  O16  1  0.900  0.672  0.655  1.0
  O  O17  1  0.400  0.828  0.655  1.0
  O  O18  1  0.453  0.520  0.664  1.0
  O  O19  1  0.953  0.980  0.664  1.0
  O  O20  1  0.953  0.480  0.336  1.0
  O  O21  1  0.453  0.020  0.336  1.0
  O  O22  1  0.900  0.172  0.345  1.0
  O  O23  1  0.400  0.328  0.345  1.0
  F  F24  1  0.276  0.175  0.602  1.0
  F  F25  1  0.776  0.325  0.602  1.0
  F  F26  1  0.776  0.825  0.398  1.0
  F  F27  1  0.276  0.675  0.398  1.0
  F  F28  1  0.109  0.309  0.125  1.0
  F  F29  1  0.609  0.191  0.125  1.0
  F  F30  1  0.579  0.506  0.170  1.0
  F  F31  1  0.079  0.994  0.170  1.0
  F  F32  1  0.701  0.847  0.120  1.0
  F  F33  1  0.201  0.653  0.120  1.0
  F  F34  1  0.701  0.347  0.880  1.0
  F  F35  1  0.201  0.153  0.880  1.0
  F  F36  1  0.079  0.494  0.830  1.0
  F  F37  1  0.579  0.006  0.830  1.0
  F  F38  1  0.609  0.691  0.875  1.0
  F  F39  1  0.109  0.809  0.875  1.0
[/CIF]
.