The material described by Li6Mn(OF2)2 crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(4), and two equivalent F(3) atoms to form distorted LiOF3 trigonal pyramids that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  a cornercorner with one Li(3)O2F2 trigonal pyramid,  a cornercorner with one Li(5)OF3 trigonal pyramid,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Li(3)O2F2 trigonal pyramid,  an edgeedge with one Li(1)OF3 trigonal pyramid, and  an edgeedge with one Li(5)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-70°. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one F(1), one F(2), and one F(4) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one F(1), and one F(3) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  a cornercorner with one Li(5)OF3 trigonal pyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Li(1)OF3 trigonal pyramid, and  an edgeedge with one Li(5)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-61°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one F(2), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra, corners with two equivalent Li(3)O2F2 trigonal pyramids, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one Mn(2)O2F4 octahedra, and  an edgeedge with one Li(5)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-62°. In the fifth Li site, Li(5) is bonded to one O(2), one F(1), one F(3), and one F(4) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Li(3)O2F2 trigonal pyramid,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(3)O2F2 trigonal pyramid, and  an edgeedge with one Li(1)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-65°. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one O(2), 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(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 trigonal pyramids, corners with two equivalent Li(5)OF3 trigonal pyramids, corners with four equivalent Li(1)OF3 trigonal pyramids, edges with two equivalent Li(3)O2F2 trigonal pyramids, and edges with two equivalent Li(5)OF3 trigonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 trigonal pyramids, corners with two equivalent Li(5)OF3 trigonal pyramids, edges with two equivalent Li(4)O2F2 tetrahedra, and edges with two equivalent Li(1)OF3 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Mn(2) atom to form distorted OLi4Mn trigonal bipyramids that share  a cornercorner with one O(1)Li4Mn trigonal bipyramid,  a cornercorner with one F(3)Li4Mn trigonal bipyramid, corners with two equivalent O(2)Li4Mn trigonal bipyramids, and  an edgeedge with one F(3)Li4Mn trigonal bipyramid. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(1) atom to form distorted OLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)Li4Mn trigonal bipyramid, corners with two equivalent O(1)Li4Mn trigonal bipyramids, corners with two equivalent F(3)Li4Mn trigonal bipyramids, and  an edgeedge with one F(3)Li4Mn trigonal bipyramid. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(6), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(6), and one Mn(2) atom. In the third F site, F(3) is bonded to one Li(3), one Li(5), two equivalent Li(1), and one Mn(1) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(1)Li4Mn trigonal bipyramid,  a cornercorner with one F(3)Li4Mn trigonal bipyramid, corners with two equivalent O(2)Li4Mn trigonal bipyramids,  an edgeedge with one O(1)Li4Mn trigonal bipyramid,  an edgeedge with one O(2)Li4Mn trigonal bipyramid, and  an edgeedge with one F(3)Li4Mn trigonal bipyramid. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Li6Mn(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   6.998
_cell_length_c   8.405
_cell_angle_alpha   89.970
_cell_angle_beta   90.412
_cell_angle_gamma   108.378
_symmetry_Int_Tables_number   1
_cell_volume   310.993
_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  0.973  0.015  0.345  1.0
  Li  Li1  1  0.584  0.177  0.145  1.0
  Li  Li2  1  0.331  0.322  0.318  1.0
  Li  Li3  1  0.697  0.171  0.783  1.0
  Li  Li4  1  0.608  0.672  0.323  1.0
  Li  Li5  1  0.988  0.513  0.845  1.0
  Li  Li6  1  0.012  0.487  0.155  1.0
  Li  Li7  1  0.392  0.328  0.677  1.0
  Li  Li8  1  0.303  0.829  0.217  1.0
  Li  Li9  1  0.669  0.678  0.682  1.0
  Li  Li10  1  0.416  0.823  0.855  1.0
  Li  Li11  1  0.027  0.985  0.655  1.0
  Mn  Mn12  1  0.000  0.500  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.229  0.081  0.189  1.0
  O  O15  1  0.751  0.428  0.676  1.0
  O  O16  1  0.249  0.572  0.324  1.0
  O  O17  1  0.771  0.919  0.811  1.0
  F  F18  1  0.694  0.427  0.274  1.0
  F  F19  1  0.859  0.290  0.994  1.0
  F  F20  1  0.863  0.793  0.486  1.0
  F  F21  1  0.672  0.933  0.211  1.0
  F  F22  1  0.328  0.067  0.789  1.0
  F  F23  1  0.137  0.207  0.514  1.0
  F  F24  1  0.141  0.710  0.006  1.0
  F  F25  1  0.306  0.573  0.726  1.0
[/CIF]
.
The material described by Li6Mn(OF2)2 crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(4), and two equivalent F(3) atoms to form distorted LiOF3 trigonal pyramids that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  a cornercorner with one Li(3)O2F2 trigonal pyramid,  a cornercorner with one Li(5)OF3 trigonal pyramid,  an edgeedge with one Mn(2)O2F4 octahedra,  an edgeedge with one Li(3)O2F2 trigonal pyramid,  an edgeedge with one Li(1)OF3 trigonal pyramid, and  an edgeedge with one Li(5)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-70°. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one F(1), one F(2), and one F(4) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one F(1), and one F(3) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  a cornercorner with one Li(5)OF3 trigonal pyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Li(1)OF3 trigonal pyramid, and  an edgeedge with one Li(5)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-61°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one F(2), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra, corners with two equivalent Li(3)O2F2 trigonal pyramids, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one Mn(2)O2F4 octahedra, and  an edgeedge with one Li(5)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-62°. In the fifth Li site, Li(5) is bonded to one O(2), one F(1), one F(3), and one F(4) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O2F4 octahedra,  a cornercorner with one Li(3)O2F2 trigonal pyramid,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Li(4)O2F2 tetrahedra,  an edgeedge with one Li(3)O2F2 trigonal pyramid, and  an edgeedge with one Li(1)OF3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-65°. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one O(2), 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(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 trigonal pyramids, corners with two equivalent Li(5)OF3 trigonal pyramids, corners with four equivalent Li(1)OF3 trigonal pyramids, edges with two equivalent Li(3)O2F2 trigonal pyramids, and edges with two equivalent Li(5)OF3 trigonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted MnO2F4 octahedra that share corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 trigonal pyramids, corners with two equivalent Li(5)OF3 trigonal pyramids, edges with two equivalent Li(4)O2F2 tetrahedra, and edges with two equivalent Li(1)OF3 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Mn(2) atom to form distorted OLi4Mn trigonal bipyramids that share  a cornercorner with one O(1)Li4Mn trigonal bipyramid,  a cornercorner with one F(3)Li4Mn trigonal bipyramid, corners with two equivalent O(2)Li4Mn trigonal bipyramids, and  an edgeedge with one F(3)Li4Mn trigonal bipyramid. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(1) atom to form distorted OLi4Mn trigonal bipyramids that share  a cornercorner with one O(2)Li4Mn trigonal bipyramid, corners with two equivalent O(1)Li4Mn trigonal bipyramids, corners with two equivalent F(3)Li4Mn trigonal bipyramids, and  an edgeedge with one F(3)Li4Mn trigonal bipyramid. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(6), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(6), and one Mn(2) atom. In the third F site, F(3) is bonded to one Li(3), one Li(5), two equivalent Li(1), and one Mn(1) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one O(1)Li4Mn trigonal bipyramid,  a cornercorner with one F(3)Li4Mn trigonal bipyramid, corners with two equivalent O(2)Li4Mn trigonal bipyramids,  an edgeedge with one O(1)Li4Mn trigonal bipyramid,  an edgeedge with one O(2)Li4Mn trigonal bipyramid, and  an edgeedge with one F(3)Li4Mn trigonal bipyramid. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Li6Mn(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   6.998
_cell_length_c   8.405
_cell_angle_alpha   89.970
_cell_angle_beta   90.412
_cell_angle_gamma   108.378
_symmetry_Int_Tables_number   1
_cell_volume   310.993
_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  0.973  0.015  0.345  1.0
  Li  Li1  1  0.584  0.177  0.145  1.0
  Li  Li2  1  0.331  0.322  0.318  1.0
  Li  Li3  1  0.697  0.171  0.783  1.0
  Li  Li4  1  0.608  0.672  0.323  1.0
  Li  Li5  1  0.988  0.513  0.845  1.0
  Li  Li6  1  0.012  0.487  0.155  1.0
  Li  Li7  1  0.392  0.328  0.677  1.0
  Li  Li8  1  0.303  0.829  0.217  1.0
  Li  Li9  1  0.669  0.678  0.682  1.0
  Li  Li10  1  0.416  0.823  0.855  1.0
  Li  Li11  1  0.027  0.985  0.655  1.0
  Mn  Mn12  1  0.000  0.500  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.229  0.081  0.189  1.0
  O  O15  1  0.751  0.428  0.676  1.0
  O  O16  1  0.249  0.572  0.324  1.0
  O  O17  1  0.771  0.919  0.811  1.0
  F  F18  1  0.694  0.427  0.274  1.0
  F  F19  1  0.859  0.290  0.994  1.0
  F  F20  1  0.863  0.793  0.486  1.0
  F  F21  1  0.672  0.933  0.211  1.0
  F  F22  1  0.328  0.067  0.789  1.0
  F  F23  1  0.137  0.207  0.514  1.0
  F  F24  1  0.141  0.710  0.006  1.0
  F  F25  1  0.306  0.573  0.726  1.0
[/CIF]
.