The compound described by LiMn2OF3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one F(1), and two equivalent F(2) atoms to form LiOF3 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-68°. 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 MnO2F4 octahedra that share corners with four equivalent Mn(2)OF5 octahedra, corners with two equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(2)OF5 octahedra, and edges with two equivalent Li(1)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form distorted MnOF5 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra, corners with four equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, and  an edgeedge with one Li(1)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-60°. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted corner-sharing FLiMn3 tetrahedra. 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(2) atoms. is represented by the CIF file [CIF]
data_LiMn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   10.989
_cell_length_c   6.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   349.409
_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  0.060  0.591  0.250  1.0
  Li  Li1  1  0.440  0.091  0.250  1.0
  Li  Li2  1  0.560  0.909  0.750  1.0
  Li  Li3  1  0.940  0.409  0.750  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.500  1.000  1.0
  Mn  Mn6  1  0.543  0.210  0.750  1.0
  Mn  Mn7  1  0.457  0.790  0.250  1.0
  Mn  Mn8  1  0.000  0.000  1.000  1.0
  Mn  Mn9  1  1.000  0.000  0.500  1.0
  Mn  Mn10  1  0.957  0.710  0.750  1.0
  Mn  Mn11  1  0.043  0.290  0.250  1.0
  O  O12  1  0.263  0.443  0.250  1.0
  O  O13  1  0.237  0.943  0.250  1.0
  O  O14  1  0.763  0.057  0.750  1.0
  O  O15  1  0.737  0.557  0.750  1.0
  F  F16  1  0.198  0.889  0.750  1.0
  F  F17  1  0.302  0.388  0.750  1.0
  F  F18  1  0.698  0.612  0.250  1.0
  F  F19  1  0.802  0.111  0.250  1.0
  F  F20  1  0.231  0.671  0.014  1.0
  F  F21  1  0.231  0.671  0.486  1.0
  F  F22  1  0.269  0.171  0.014  1.0
  F  F23  1  0.269  0.171  0.486  1.0
  F  F24  1  0.731  0.829  0.514  1.0
  F  F25  1  0.731  0.829  0.986  1.0
  F  F26  1  0.769  0.329  0.514  1.0
  F  F27  1  0.769  0.329  0.986  1.0
[/CIF]
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The compound described by LiMn2OF3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one F(1), and two equivalent F(2) atoms to form LiOF3 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-68°. 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 MnO2F4 octahedra that share corners with four equivalent Mn(2)OF5 octahedra, corners with two equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(2)OF5 octahedra, and edges with two equivalent Li(1)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form distorted MnOF5 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra, corners with four equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)O2F4 octahedra, and  an edgeedge with one Li(1)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-60°. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted corner-sharing FLiMn3 tetrahedra. 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(2) atoms. is represented by the CIF file [CIF]
data_LiMn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   10.989
_cell_length_c   6.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   349.409
_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  0.060  0.591  0.250  1.0
  Li  Li1  1  0.440  0.091  0.250  1.0
  Li  Li2  1  0.560  0.909  0.750  1.0
  Li  Li3  1  0.940  0.409  0.750  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.500  1.000  1.0
  Mn  Mn6  1  0.543  0.210  0.750  1.0
  Mn  Mn7  1  0.457  0.790  0.250  1.0
  Mn  Mn8  1  0.000  0.000  1.000  1.0
  Mn  Mn9  1  1.000  0.000  0.500  1.0
  Mn  Mn10  1  0.957  0.710  0.750  1.0
  Mn  Mn11  1  0.043  0.290  0.250  1.0
  O  O12  1  0.263  0.443  0.250  1.0
  O  O13  1  0.237  0.943  0.250  1.0
  O  O14  1  0.763  0.057  0.750  1.0
  O  O15  1  0.737  0.557  0.750  1.0
  F  F16  1  0.198  0.889  0.750  1.0
  F  F17  1  0.302  0.388  0.750  1.0
  F  F18  1  0.698  0.612  0.250  1.0
  F  F19  1  0.802  0.111  0.250  1.0
  F  F20  1  0.231  0.671  0.014  1.0
  F  F21  1  0.231  0.671  0.486  1.0
  F  F22  1  0.269  0.171  0.014  1.0
  F  F23  1  0.269  0.171  0.486  1.0
  F  F24  1  0.731  0.829  0.514  1.0
  F  F25  1  0.731  0.829  0.986  1.0
  F  F26  1  0.769  0.329  0.514  1.0
  F  F27  1  0.769  0.329  0.986  1.0
[/CIF]
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