The compound described by Li6Mn(OF2)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share corners with two equivalent Mn(1)O2F4 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-59°. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one F(2), and two equivalent F(1) atoms. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one F(1), and two equivalent F(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted MnO2F4 octahedra that share corners with four equivalent Li(1)O2F2 trigonal pyramids and edges with two equivalent Li(1)O2F2 trigonal pyramids. O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Mn(1) atom to form distorted OLi4Mn trigonal bipyramids that share  a cornercorner with one O(1)Li4Mn trigonal bipyramid, corners with three equivalent F(1)Li4Mn trigonal bipyramids,  an edgeedge with one O(1)Li4Mn trigonal bipyramid, and edges with two equivalent F(1)Li4Mn trigonal bipyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Mn(1) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one F(1)Li4Mn trigonal bipyramid, corners with three equivalent O(1)Li4Mn trigonal bipyramids,  an edgeedge with one F(1)Li4Mn trigonal bipyramid, and edges with two equivalent O(1)Li4Mn trigonal bipyramids. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li6Mn(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   5.497
_cell_length_c   11.048
_cell_angle_alpha   78.278
_cell_angle_beta   78.278
_cell_angle_gamma   99.933
_symmetry_Int_Tables_number   1
_cell_volume   312.038
_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
  Li  Li0  1  0.319  0.003  0.187  1.0
  Li  Li1  1  0.402  0.975  0.666  1.0
  Li  Li2  1  0.357  0.668  0.007  1.0
  Li  Li3  1  0.332  0.643  0.493  1.0
  Li  Li4  1  0.003  0.319  0.687  1.0
  Li  Li5  1  0.975  0.402  0.166  1.0
  Li  Li6  1  0.025  0.598  0.834  1.0
  Li  Li7  1  0.997  0.681  0.313  1.0
  Li  Li8  1  0.668  0.357  0.507  1.0
  Li  Li9  1  0.643  0.332  0.993  1.0
  Li  Li10  1  0.598  0.025  0.334  1.0
  Li  Li11  1  0.681  0.997  0.813  1.0
  Mn  Mn12  1  0.000  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.000  0.500  1.0
  O  O14  1  0.238  0.891  0.371  1.0
  O  O15  1  0.109  0.762  0.129  1.0
  O  O16  1  0.891  0.238  0.871  1.0
  O  O17  1  0.762  0.109  0.629  1.0
  F  F18  1  0.304  0.857  0.850  1.0
  F  F19  1  0.143  0.696  0.650  1.0
  F  F20  1  0.719  0.695  0.933  1.0
  F  F21  1  0.695  0.719  0.433  1.0
  F  F22  1  0.305  0.281  0.567  1.0
  F  F23  1  0.281  0.305  0.067  1.0
  F  F24  1  0.857  0.304  0.350  1.0
  F  F25  1  0.696  0.143  0.150  1.0
[/CIF]
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The compound described by Li6Mn(OF2)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share corners with two equivalent Mn(1)O2F4 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-59°. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one F(2), and two equivalent F(1) atoms. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one F(1), and two equivalent F(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted MnO2F4 octahedra that share corners with four equivalent Li(1)O2F2 trigonal pyramids and edges with two equivalent Li(1)O2F2 trigonal pyramids. O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Mn(1) atom to form distorted OLi4Mn trigonal bipyramids that share  a cornercorner with one O(1)Li4Mn trigonal bipyramid, corners with three equivalent F(1)Li4Mn trigonal bipyramids,  an edgeedge with one O(1)Li4Mn trigonal bipyramid, and edges with two equivalent F(1)Li4Mn trigonal bipyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Mn(1) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one F(1)Li4Mn trigonal bipyramid, corners with three equivalent O(1)Li4Mn trigonal bipyramids,  an edgeedge with one F(1)Li4Mn trigonal bipyramid, and edges with two equivalent O(1)Li4Mn trigonal bipyramids. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li6Mn(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   5.497
_cell_length_c   11.048
_cell_angle_alpha   78.278
_cell_angle_beta   78.278
_cell_angle_gamma   99.933
_symmetry_Int_Tables_number   1
_cell_volume   312.038
_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
  Li  Li0  1  0.319  0.003  0.187  1.0
  Li  Li1  1  0.402  0.975  0.666  1.0
  Li  Li2  1  0.357  0.668  0.007  1.0
  Li  Li3  1  0.332  0.643  0.493  1.0
  Li  Li4  1  0.003  0.319  0.687  1.0
  Li  Li5  1  0.975  0.402  0.166  1.0
  Li  Li6  1  0.025  0.598  0.834  1.0
  Li  Li7  1  0.997  0.681  0.313  1.0
  Li  Li8  1  0.668  0.357  0.507  1.0
  Li  Li9  1  0.643  0.332  0.993  1.0
  Li  Li10  1  0.598  0.025  0.334  1.0
  Li  Li11  1  0.681  0.997  0.813  1.0
  Mn  Mn12  1  0.000  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.000  0.500  1.0
  O  O14  1  0.238  0.891  0.371  1.0
  O  O15  1  0.109  0.762  0.129  1.0
  O  O16  1  0.891  0.238  0.871  1.0
  O  O17  1  0.762  0.109  0.629  1.0
  F  F18  1  0.304  0.857  0.850  1.0
  F  F19  1  0.143  0.696  0.650  1.0
  F  F20  1  0.719  0.695  0.933  1.0
  F  F21  1  0.695  0.719  0.433  1.0
  F  F22  1  0.305  0.281  0.567  1.0
  F  F23  1  0.281  0.305  0.067  1.0
  F  F24  1  0.857  0.304  0.350  1.0
  F  F25  1  0.696  0.143  0.150  1.0
[/CIF]
.