The material described by LiMn6(OF2)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(4), one F(5), and one F(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(6)OF5 octahedra, and  an edgeedge with one Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-67°. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(3)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-67°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)LiMn3 trigonal pyramid,  a cornercorner with one F(8)LiMn3 trigonal pyramid,  an edgeedge with one O(2)LiMn3 trigonal pyramid, and  an edgeedge with one F(8)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 trigonal pyramid,  a cornercorner with one F(8)LiMn3 trigonal pyramid,  an edgeedge with one O(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(8)LiMn3 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 trigonal pyramid,  a cornercorner with one O(2)LiMn3 trigonal pyramid,  an edgeedge with one O(1)LiMn3 trigonal pyramid, and  an edgeedge with one O(2)LiMn3 trigonal pyramid. is represented by the CIF file [CIF]
data_LiMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.973
_cell_length_b   8.067
_cell_length_c   5.783
_cell_angle_alpha   93.618
_cell_angle_beta   93.141
_cell_angle_gamma   87.679
_symmetry_Int_Tables_number   1
_cell_volume   231.018
_cell_formula_units_Z   1
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  0.484  0.807  0.817  1.0
  Mn  Mn1  1  0.485  0.027  0.478  1.0
  Mn  Mn2  1  0.615  0.659  0.211  1.0
  Mn  Mn3  1  0.488  0.343  0.838  1.0
  Mn  Mn4  1  0.963  0.678  0.684  1.0
  Mn  Mn5  1  0.002  0.340  0.339  1.0
  Mn  Mn6  1  0.993  0.998  0.007  1.0
  O  O7  1  0.825  0.765  0.971  1.0
  O  O8  1  0.666  0.784  0.519  1.0
  O  O9  1  0.701  0.424  0.130  1.0
  O  O10  1  0.301  0.257  0.536  1.0
  F  F11  1  0.796  0.432  0.637  1.0
  F  F12  1  0.831  0.106  0.316  1.0
  F  F13  1  0.666  0.102  0.814  1.0
  F  F14  1  0.309  0.593  0.854  1.0
  F  F15  1  0.355  0.895  0.161  1.0
  F  F16  1  0.129  0.586  0.388  1.0
  F  F17  1  0.191  0.236  0.041  1.0
  F  F18  1  0.184  0.918  0.689  1.0
[/CIF]
.
The material described by LiMn6(OF2)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(4), one F(5), and one F(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(6)OF5 octahedra, and  an edgeedge with one Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-67°. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(3)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-67°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)LiMn3 trigonal pyramid,  a cornercorner with one F(8)LiMn3 trigonal pyramid,  an edgeedge with one O(2)LiMn3 trigonal pyramid, and  an edgeedge with one F(8)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 trigonal pyramid,  a cornercorner with one F(8)LiMn3 trigonal pyramid,  an edgeedge with one O(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(8)LiMn3 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 trigonal pyramid,  a cornercorner with one O(2)LiMn3 trigonal pyramid,  an edgeedge with one O(1)LiMn3 trigonal pyramid, and  an edgeedge with one O(2)LiMn3 trigonal pyramid. is represented by the CIF file [CIF]
data_LiMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.973
_cell_length_b   8.067
_cell_length_c   5.783
_cell_angle_alpha   93.618
_cell_angle_beta   93.141
_cell_angle_gamma   87.679
_symmetry_Int_Tables_number   1
_cell_volume   231.018
_cell_formula_units_Z   1
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  0.484  0.807  0.817  1.0
  Mn  Mn1  1  0.485  0.027  0.478  1.0
  Mn  Mn2  1  0.615  0.659  0.211  1.0
  Mn  Mn3  1  0.488  0.343  0.838  1.0
  Mn  Mn4  1  0.963  0.678  0.684  1.0
  Mn  Mn5  1  0.002  0.340  0.339  1.0
  Mn  Mn6  1  0.993  0.998  0.007  1.0
  O  O7  1  0.825  0.765  0.971  1.0
  O  O8  1  0.666  0.784  0.519  1.0
  O  O9  1  0.701  0.424  0.130  1.0
  O  O10  1  0.301  0.257  0.536  1.0
  F  F11  1  0.796  0.432  0.637  1.0
  F  F12  1  0.831  0.106  0.316  1.0
  F  F13  1  0.666  0.102  0.814  1.0
  F  F14  1  0.309  0.593  0.854  1.0
  F  F15  1  0.355  0.895  0.161  1.0
  F  F16  1  0.129  0.586  0.388  1.0
  F  F17  1  0.191  0.236  0.041  1.0
  F  F18  1  0.184  0.918  0.689  1.0
[/CIF]
.