The crystal structure described by LiMn2OF3 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one F(1), one F(2), and one F(3) atom to form LiOF3 tetrahedra that share corners with three equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(2)O2F4 octahedra, and corners with six equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are three 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 MnO2F4 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(2)O2F4 octahedra, and edges with four equivalent Mn(3)OF5 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, and edges with four equivalent Mn(3)OF5 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(2)O2F4 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form corner-sharing OLiMn3 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_LiMn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.380
_cell_length_c   9.094
_cell_angle_alpha   89.996
_cell_angle_beta   90.557
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   362.395
_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  0.001  0.965  0.021  1.0
  Li  Li1  1  0.499  0.035  0.229  1.0
  Li  Li2  1  0.501  0.535  0.521  1.0
  Li  Li3  1  0.999  0.464  0.729  1.0
  Mn  Mn4  1  0.750  0.500  0.125  1.0
  Mn  Mn5  1  0.250  0.000  0.625  1.0
  Mn  Mn6  1  0.250  0.500  0.125  1.0
  Mn  Mn7  1  0.750  0.000  0.625  1.0
  Mn  Mn8  1  0.000  0.256  0.391  1.0
  Mn  Mn9  1  1.000  0.757  0.359  1.0
  Mn  Mn10  1  0.501  0.243  0.891  1.0
  Mn  Mn11  1  0.500  0.744  0.859  1.0
  O  O12  1  0.999  0.703  0.139  1.0
  O  O13  1  0.501  0.297  0.111  1.0
  O  O14  1  0.499  0.797  0.639  1.0
  O  O15  1  0.001  0.203  0.611  1.0
  F  F16  1  0.001  0.236  0.150  1.0
  F  F17  1  0.499  0.764  0.100  1.0
  F  F18  1  0.500  0.264  0.650  1.0
  F  F19  1  0.999  0.736  0.600  1.0
  F  F20  1  0.246  0.000  0.368  1.0
  F  F21  1  0.755  0.001  0.370  1.0
  F  F22  1  0.245  0.502  0.380  1.0
  F  F23  1  0.754  0.500  0.382  1.0
  F  F24  1  0.746  0.499  0.868  1.0
  F  F25  1  0.255  0.498  0.870  1.0
  F  F26  1  0.254  1.000  0.882  1.0
  F  F27  1  0.745  0.998  0.880  1.0
[/CIF]
.
The crystal structure described by LiMn2OF3 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one F(1), one F(2), and one F(3) atom to form LiOF3 tetrahedra that share corners with three equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(2)O2F4 octahedra, and corners with six equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are three 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 MnO2F4 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(2)O2F4 octahedra, and edges with four equivalent Mn(3)OF5 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, and edges with four equivalent Mn(3)OF5 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with six equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(2)O2F4 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form corner-sharing OLiMn3 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_LiMn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.380
_cell_length_c   9.094
_cell_angle_alpha   89.996
_cell_angle_beta   90.557
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   362.395
_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  0.001  0.965  0.021  1.0
  Li  Li1  1  0.499  0.035  0.229  1.0
  Li  Li2  1  0.501  0.535  0.521  1.0
  Li  Li3  1  0.999  0.464  0.729  1.0
  Mn  Mn4  1  0.750  0.500  0.125  1.0
  Mn  Mn5  1  0.250  0.000  0.625  1.0
  Mn  Mn6  1  0.250  0.500  0.125  1.0
  Mn  Mn7  1  0.750  0.000  0.625  1.0
  Mn  Mn8  1  0.000  0.256  0.391  1.0
  Mn  Mn9  1  1.000  0.757  0.359  1.0
  Mn  Mn10  1  0.501  0.243  0.891  1.0
  Mn  Mn11  1  0.500  0.744  0.859  1.0
  O  O12  1  0.999  0.703  0.139  1.0
  O  O13  1  0.501  0.297  0.111  1.0
  O  O14  1  0.499  0.797  0.639  1.0
  O  O15  1  0.001  0.203  0.611  1.0
  F  F16  1  0.001  0.236  0.150  1.0
  F  F17  1  0.499  0.764  0.100  1.0
  F  F18  1  0.500  0.264  0.650  1.0
  F  F19  1  0.999  0.736  0.600  1.0
  F  F20  1  0.246  0.000  0.368  1.0
  F  F21  1  0.755  0.001  0.370  1.0
  F  F22  1  0.245  0.502  0.380  1.0
  F  F23  1  0.754  0.500  0.382  1.0
  F  F24  1  0.746  0.499  0.868  1.0
  F  F25  1  0.255  0.498  0.870  1.0
  F  F26  1  0.254  1.000  0.882  1.0
  F  F27  1  0.745  0.998  0.880  1.0
[/CIF]
.