The structure described by Li6Mn2O5F2 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 O(4), two equivalent O(5), and one F(2) atom to form distorted LiO4F square pyramids that share corners with three equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(4)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid, corners with two equivalent Li(2)O4F square pyramids,  a cornercorner with one Li(6)O4F trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Li(1)O4F square pyramid, edges with two equivalent Li(4)O3F2 square pyramids, and edges with two equivalent Li(5)O4F square pyramids. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(2), and one F(2) atom to form LiO4F square pyramids that share  a cornercorner with one Li(4)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid, corners with two equivalent Li(1)O4F square pyramids, corners with four equivalent Li(6)O4F trigonal bipyramids,  an edgeedge with one Mn(1)O4F2 octahedra, edges with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), one F(1), and one F(2) atom. In the fourth Li site, Li(4) is bonded to one O(5), two equivalent O(1), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, corners with four equivalent Li(5)O4F square pyramids,  a cornercorner with one Li(6)O4F trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra, edges with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Li(4)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and edges with two equivalent Li(1)O4F square pyramids. In the fifth Li site, Li(5) is bonded to one O(4), one O(5), two equivalent O(1), and one F(1) atom to form LiO4F square pyramids that share  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, corners with four equivalent Li(4)O3F2 square pyramids, corners with two equivalent Li(6)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, edges with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Li(4)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and edges with two equivalent Li(1)O4F square pyramids. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), two equivalent O(2), and one F(1) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Li(4)O3F2 square pyramid,  a cornercorner with one Li(1)O4F square pyramid, corners with two equivalent Li(5)O4F square pyramids, corners with four equivalent Li(2)O4F square pyramids,  an edgeedge with one Mn(1)O4F2 octahedra, edges with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(5), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Li(1)O4F square pyramids,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, edges with two equivalent Li(1)O4F square pyramids, edges with three equivalent Li(4)O3F2 square pyramids, edges with three equivalent Li(5)O4F square pyramids, and  an edgeedge with one Li(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(3), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(4)O3F2 square pyramid,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(5)O4F square pyramid, edges with three equivalent Li(2)O4F square pyramids, and edges with three equivalent Li(6)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-8°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), two equivalent Li(5), and one Mn(1) atom to form OLi5Mn octahedra that share corners with three equivalent F(1)Li4Mn2 octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, and edges with four equivalent O(5)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), two equivalent Li(6), and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, and edges with four equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 9-20°. In the third O site, O(3) is bonded to one Li(2), one Li(6), two equivalent Li(3), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent F(1)Li4Mn2 octahedra, corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-26°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(2)Li5Mn octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(4)Li4Mn2 octahedra, corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with four equivalent O(1)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-23°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form distorted FLi4Mn2 octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra, corners with three equivalent O(1)Li5Mn octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra, corners with three equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   5.883
_cell_length_c   9.914
_cell_angle_alpha   95.439
_cell_angle_beta   93.559
_cell_angle_gamma   118.105
_symmetry_Int_Tables_number   1
_cell_volume   298.468
_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  0.790  0.869  0.908  1.0
  Li  Li1  1  0.529  0.867  0.393  1.0
  Li  Li2  1  0.092  0.893  0.421  1.0
  Li  Li3  1  0.320  0.878  0.902  1.0
  Li  Li4  1  0.669  0.585  0.109  1.0
  Li  Li5  1  0.919  0.580  0.605  1.0
  Li  Li6  1  0.081  0.420  0.395  1.0
  Li  Li7  1  0.331  0.415  0.891  1.0
  Li  Li8  1  0.680  0.122  0.098  1.0
  Li  Li9  1  0.908  0.107  0.579  1.0
  Li  Li10  1  0.471  0.133  0.607  1.0
  Li  Li11  1  0.210  0.131  0.092  1.0
  Mn  Mn12  1  0.204  0.620  0.119  1.0
  Mn  Mn13  1  0.441  0.607  0.623  1.0
  Mn  Mn14  1  0.559  0.393  0.377  1.0
  Mn  Mn15  1  0.796  0.380  0.881  1.0
  O  O16  1  0.496  0.754  0.022  1.0
  O  O17  1  0.263  0.749  0.526  1.0
  O  O18  1  0.748  0.736  0.486  1.0
  O  O19  1  0.369  0.500  0.251  1.0
  O  O20  1  0.018  0.751  0.009  1.0
  O  O21  1  0.982  0.249  0.991  1.0
  O  O22  1  0.631  0.500  0.749  1.0
  O  O23  1  0.252  0.264  0.514  1.0
  O  O24  1  0.737  0.251  0.474  1.0
  O  O25  1  0.504  0.246  0.978  1.0
  F  F26  1  0.899  0.509  0.238  1.0
  F  F27  1  0.101  0.491  0.762  1.0
  F  F28  1  0.365  0.030  0.259  1.0
  F  F29  1  0.635  0.970  0.741  1.0
[/CIF]
.
The structure described by Li6Mn2O5F2 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 O(4), two equivalent O(5), and one F(2) atom to form distorted LiO4F square pyramids that share corners with three equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(4)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid, corners with two equivalent Li(2)O4F square pyramids,  a cornercorner with one Li(6)O4F trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Li(1)O4F square pyramid, edges with two equivalent Li(4)O3F2 square pyramids, and edges with two equivalent Li(5)O4F square pyramids. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(2), and one F(2) atom to form LiO4F square pyramids that share  a cornercorner with one Li(4)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid, corners with two equivalent Li(1)O4F square pyramids, corners with four equivalent Li(6)O4F trigonal bipyramids,  an edgeedge with one Mn(1)O4F2 octahedra, edges with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), one F(1), and one F(2) atom. In the fourth Li site, Li(4) is bonded to one O(5), two equivalent O(1), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, corners with four equivalent Li(5)O4F square pyramids,  a cornercorner with one Li(6)O4F trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra, edges with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Li(4)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and edges with two equivalent Li(1)O4F square pyramids. In the fifth Li site, Li(5) is bonded to one O(4), one O(5), two equivalent O(1), and one F(1) atom to form LiO4F square pyramids that share  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, corners with four equivalent Li(4)O3F2 square pyramids, corners with two equivalent Li(6)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, edges with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Li(4)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and edges with two equivalent Li(1)O4F square pyramids. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), two equivalent O(2), and one F(1) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Li(4)O3F2 square pyramid,  a cornercorner with one Li(1)O4F square pyramid, corners with two equivalent Li(5)O4F square pyramids, corners with four equivalent Li(2)O4F square pyramids,  an edgeedge with one Mn(1)O4F2 octahedra, edges with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(5), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Li(1)O4F square pyramids,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, edges with two equivalent Li(1)O4F square pyramids, edges with three equivalent Li(4)O3F2 square pyramids, edges with three equivalent Li(5)O4F square pyramids, and  an edgeedge with one Li(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(3), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(4)O3F2 square pyramid,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(5)O4F square pyramid, edges with three equivalent Li(2)O4F square pyramids, and edges with three equivalent Li(6)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-8°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), two equivalent Li(5), and one Mn(1) atom to form OLi5Mn octahedra that share corners with three equivalent F(1)Li4Mn2 octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, and edges with four equivalent O(5)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), two equivalent Li(6), and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, edges with two equivalent F(2)Li4Mn2 octahedra, and edges with four equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 9-20°. In the third O site, O(3) is bonded to one Li(2), one Li(6), two equivalent Li(3), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent F(1)Li4Mn2 octahedra, corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-26°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(2)Li5Mn octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(4)Li4Mn2 octahedra, corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent F(1)Li4Mn2 octahedra, and edges with four equivalent O(1)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 8-23°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form distorted FLi4Mn2 octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra, corners with three equivalent O(1)Li5Mn octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra, corners with three equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   5.883
_cell_length_c   9.914
_cell_angle_alpha   95.439
_cell_angle_beta   93.559
_cell_angle_gamma   118.105
_symmetry_Int_Tables_number   1
_cell_volume   298.468
_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  0.790  0.869  0.908  1.0
  Li  Li1  1  0.529  0.867  0.393  1.0
  Li  Li2  1  0.092  0.893  0.421  1.0
  Li  Li3  1  0.320  0.878  0.902  1.0
  Li  Li4  1  0.669  0.585  0.109  1.0
  Li  Li5  1  0.919  0.580  0.605  1.0
  Li  Li6  1  0.081  0.420  0.395  1.0
  Li  Li7  1  0.331  0.415  0.891  1.0
  Li  Li8  1  0.680  0.122  0.098  1.0
  Li  Li9  1  0.908  0.107  0.579  1.0
  Li  Li10  1  0.471  0.133  0.607  1.0
  Li  Li11  1  0.210  0.131  0.092  1.0
  Mn  Mn12  1  0.204  0.620  0.119  1.0
  Mn  Mn13  1  0.441  0.607  0.623  1.0
  Mn  Mn14  1  0.559  0.393  0.377  1.0
  Mn  Mn15  1  0.796  0.380  0.881  1.0
  O  O16  1  0.496  0.754  0.022  1.0
  O  O17  1  0.263  0.749  0.526  1.0
  O  O18  1  0.748  0.736  0.486  1.0
  O  O19  1  0.369  0.500  0.251  1.0
  O  O20  1  0.018  0.751  0.009  1.0
  O  O21  1  0.982  0.249  0.991  1.0
  O  O22  1  0.631  0.500  0.749  1.0
  O  O23  1  0.252  0.264  0.514  1.0
  O  O24  1  0.737  0.251  0.474  1.0
  O  O25  1  0.504  0.246  0.978  1.0
  F  F26  1  0.899  0.509  0.238  1.0
  F  F27  1  0.101  0.491  0.762  1.0
  F  F28  1  0.365  0.030  0.259  1.0
  F  F29  1  0.635  0.970  0.741  1.0
[/CIF]
.