The crystal structure described by LiMn6(OF2)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(4), one F(1), one F(2), one F(3), one F(7), and one F(8) atom to form LiOF5 octahedra that share  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(6)OF5 pentagonal pyramid, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(3)O2F4 octahedra,  a faceface with one Mn(5)O2F4 octahedra, and  a faceface with one Mn(6)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-49°. 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 pentagonal pyramids,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. 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 four equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. 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 Li(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-59°. 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  a cornercorner with one Li(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 pentagonal pyramid, and  a faceface with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. 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 distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(1)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  a faceface with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. 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 to one Li(1), one Mn(1), one Mn(3), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one F(3)LiMn3 trigonal pyramid and  an edgeedge with one F(3)LiMn3 trigonal pyramid. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(6) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(4)LiMn3 trigonal pyramid and  an edgeedge with one O(4)LiMn3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.004
_cell_length_b   8.018
_cell_length_c   5.771
_cell_angle_alpha   94.188
_cell_angle_beta   92.594
_cell_angle_gamma   87.369
_symmetry_Int_Tables_number   1
_cell_volume   230.474
_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  0.013  0.165  0.676  1.0
  Mn  Mn1  1  0.496  0.992  0.509  1.0
  Mn  Mn2  1  0.556  0.657  0.154  1.0
  Mn  Mn3  1  0.492  0.340  0.816  1.0
  Mn  Mn4  1  0.961  0.669  0.657  1.0
  Mn  Mn5  1  0.023  0.343  0.297  1.0
  Mn  Mn6  1  0.972  0.960  0.040  1.0
  O  O7  1  0.794  0.746  0.937  1.0
  O  O8  1  0.686  0.757  0.463  1.0
  O  O9  1  0.674  0.430  0.107  1.0
  O  O10  1  0.322  0.238  0.538  1.0
  F  F11  1  0.820  0.404  0.629  1.0
  F  F12  1  0.846  0.098  0.343  1.0
  F  F13  1  0.699  0.106  0.827  1.0
  F  F14  1  0.276  0.567  0.849  1.0
  F  F15  1  0.342  0.885  0.179  1.0
  F  F16  1  0.170  0.585  0.373  1.0
  F  F17  1  0.184  0.218  0.997  1.0
  F  F18  1  0.160  0.921  0.700  1.0
[/CIF]
.
The crystal structure described by LiMn6(OF2)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(4), one F(1), one F(2), one F(3), one F(7), and one F(8) atom to form LiOF5 octahedra that share  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(6)OF5 pentagonal pyramid, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(3)O2F4 octahedra,  a faceface with one Mn(5)O2F4 octahedra, and  a faceface with one Mn(6)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-49°. 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 pentagonal pyramids,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. 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 four equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. 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 Li(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-59°. 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  a cornercorner with one Li(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 pentagonal pyramid, and  a faceface with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. 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 distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(1)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  a faceface with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. 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 to one Li(1), one Mn(1), one Mn(3), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one F(3)LiMn3 trigonal pyramid and  an edgeedge with one F(3)LiMn3 trigonal pyramid. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Mn(6) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(4)LiMn3 trigonal pyramid and  an edgeedge with one O(4)LiMn3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.004
_cell_length_b   8.018
_cell_length_c   5.771
_cell_angle_alpha   94.188
_cell_angle_beta   92.594
_cell_angle_gamma   87.369
_symmetry_Int_Tables_number   1
_cell_volume   230.474
_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  0.013  0.165  0.676  1.0
  Mn  Mn1  1  0.496  0.992  0.509  1.0
  Mn  Mn2  1  0.556  0.657  0.154  1.0
  Mn  Mn3  1  0.492  0.340  0.816  1.0
  Mn  Mn4  1  0.961  0.669  0.657  1.0
  Mn  Mn5  1  0.023  0.343  0.297  1.0
  Mn  Mn6  1  0.972  0.960  0.040  1.0
  O  O7  1  0.794  0.746  0.937  1.0
  O  O8  1  0.686  0.757  0.463  1.0
  O  O9  1  0.674  0.430  0.107  1.0
  O  O10  1  0.322  0.238  0.538  1.0
  F  F11  1  0.820  0.404  0.629  1.0
  F  F12  1  0.846  0.098  0.343  1.0
  F  F13  1  0.699  0.106  0.827  1.0
  F  F14  1  0.276  0.567  0.849  1.0
  F  F15  1  0.342  0.885  0.179  1.0
  F  F16  1  0.170  0.585  0.373  1.0
  F  F17  1  0.184  0.218  0.997  1.0
  F  F18  1  0.160  0.921  0.700  1.0
[/CIF]
.