The material structure described by LiMnOF2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. O(1) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form corner-sharing OLi2Mn2 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.401
_cell_length_b   5.402
_cell_length_c   8.982
_cell_angle_alpha   83.899
_cell_angle_beta   78.205
_cell_angle_gamma   118.908
_symmetry_Int_Tables_number   1
_cell_volume   218.029
_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  0.217  0.556  0.653  1.0
  Li  Li1  1  0.709  0.871  0.847  1.0
  Li  Li2  1  0.291  0.130  0.153  1.0
  Li  Li3  1  0.783  0.444  0.347  1.0
  Mn  Mn4  1  0.000  0.500  1.000  1.0
  Mn  Mn5  1  0.575  0.825  0.250  1.0
  Mn  Mn6  1  1.000  1.000  0.500  1.0
  Mn  Mn7  1  0.425  0.175  0.750  1.0
  O  O8  1  0.300  0.784  0.821  1.0
  O  O9  1  0.895  0.880  0.321  1.0
  O  O10  1  0.105  0.120  0.679  1.0
  O  O11  1  0.701  0.216  0.179  1.0
  F  F12  1  0.237  0.804  0.473  1.0
  F  F13  1  0.251  0.724  0.152  1.0
  F  F14  1  0.376  0.403  0.348  1.0
  F  F15  1  0.223  0.290  0.973  1.0
  F  F16  1  0.778  0.710  0.027  1.0
  F  F17  1  0.624  0.597  0.652  1.0
  F  F18  1  0.749  0.276  0.848  1.0
  F  F19  1  0.763  0.196  0.527  1.0
[/CIF]
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The material structure described by LiMnOF2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. O(1) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form corner-sharing OLi2Mn2 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.401
_cell_length_b   5.402
_cell_length_c   8.982
_cell_angle_alpha   83.899
_cell_angle_beta   78.205
_cell_angle_gamma   118.908
_symmetry_Int_Tables_number   1
_cell_volume   218.029
_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  0.217  0.556  0.653  1.0
  Li  Li1  1  0.709  0.871  0.847  1.0
  Li  Li2  1  0.291  0.130  0.153  1.0
  Li  Li3  1  0.783  0.444  0.347  1.0
  Mn  Mn4  1  0.000  0.500  1.000  1.0
  Mn  Mn5  1  0.575  0.825  0.250  1.0
  Mn  Mn6  1  1.000  1.000  0.500  1.0
  Mn  Mn7  1  0.425  0.175  0.750  1.0
  O  O8  1  0.300  0.784  0.821  1.0
  O  O9  1  0.895  0.880  0.321  1.0
  O  O10  1  0.105  0.120  0.679  1.0
  O  O11  1  0.701  0.216  0.179  1.0
  F  F12  1  0.237  0.804  0.473  1.0
  F  F13  1  0.251  0.724  0.152  1.0
  F  F14  1  0.376  0.403  0.348  1.0
  F  F15  1  0.223  0.290  0.973  1.0
  F  F16  1  0.778  0.710  0.027  1.0
  F  F17  1  0.624  0.597  0.652  1.0
  F  F18  1  0.749  0.276  0.848  1.0
  F  F19  1  0.763  0.196  0.527  1.0
[/CIF]
.