The structure described by LiMn6O5F7 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(3), one F(1), one F(2), one F(5), and one F(6) atom to form LiO2F4 octahedra that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra,  a faceface with one Mn(1)O2F4 octahedra, and  a faceface with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  a faceface with one Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-67°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-67°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(5), one F(2), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(5), one F(2), one F(4), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  a faceface with one Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-65°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(4), one F(3), one F(6), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with three equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-66°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form corner-sharing OLiMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(2), one Mn(5), and one Mn(6) atom to form corner-sharing OLiMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) 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 third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to 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(5) atom. In the sixth F site, F(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_LiMn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   5.811
_cell_length_c   5.882
_cell_angle_alpha   75.905
_cell_angle_beta   73.266
_cell_angle_gamma   72.341
_symmetry_Int_Tables_number   1
_cell_volume   225.072
_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  0.665  0.338  0.823  1.0
  Mn  Mn1  1  0.847  0.707  0.630  1.0
  Mn  Mn2  1  0.679  0.328  0.327  1.0
  Mn  Mn3  1  0.331  0.686  0.645  1.0
  Mn  Mn4  1  0.162  0.290  0.340  1.0
  Mn  Mn5  1  0.510  0.963  0.054  1.0
  Mn  Mn6  1  0.003  0.990  0.008  1.0
  O  O7  1  0.628  0.573  0.530  1.0
  O  O8  1  0.968  0.206  0.239  1.0
  O  O9  1  0.714  0.091  0.115  1.0
  O  O10  1  0.045  0.786  0.767  1.0
  O  O11  1  0.326  0.966  0.375  1.0
  F  F12  1  0.657  0.055  0.673  1.0
  F  F13  1  0.363  0.383  0.936  1.0
  F  F14  1  0.297  0.916  0.912  1.0
  F  F15  1  0.372  0.409  0.415  1.0
  F  F16  1  0.665  0.605  0.996  1.0
  F  F17  1  0.978  0.316  0.700  1.0
  F  F18  1  0.030  0.652  0.288  1.0
[/CIF]
.
The structure described by LiMn6O5F7 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(3), one F(1), one F(2), one F(5), and one F(6) atom to form LiO2F4 octahedra that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra,  a faceface with one Mn(1)O2F4 octahedra, and  a faceface with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  a faceface with one Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-67°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-67°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(5), one F(2), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(5), one F(2), one F(4), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Li(1)O2F4 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  a faceface with one Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-65°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(4), one F(3), one F(6), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with three equivalent Mn(1)O2F4 octahedra, corners with three equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-66°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form corner-sharing OLiMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(2), one Mn(5), and one Mn(6) atom to form corner-sharing OLiMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) 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 third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to 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(5) atom. In the sixth F site, F(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_LiMn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   5.811
_cell_length_c   5.882
_cell_angle_alpha   75.905
_cell_angle_beta   73.266
_cell_angle_gamma   72.341
_symmetry_Int_Tables_number   1
_cell_volume   225.072
_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  0.665  0.338  0.823  1.0
  Mn  Mn1  1  0.847  0.707  0.630  1.0
  Mn  Mn2  1  0.679  0.328  0.327  1.0
  Mn  Mn3  1  0.331  0.686  0.645  1.0
  Mn  Mn4  1  0.162  0.290  0.340  1.0
  Mn  Mn5  1  0.510  0.963  0.054  1.0
  Mn  Mn6  1  0.003  0.990  0.008  1.0
  O  O7  1  0.628  0.573  0.530  1.0
  O  O8  1  0.968  0.206  0.239  1.0
  O  O9  1  0.714  0.091  0.115  1.0
  O  O10  1  0.045  0.786  0.767  1.0
  O  O11  1  0.326  0.966  0.375  1.0
  F  F12  1  0.657  0.055  0.673  1.0
  F  F13  1  0.363  0.383  0.936  1.0
  F  F14  1  0.297  0.916  0.912  1.0
  F  F15  1  0.372  0.409  0.415  1.0
  F  F16  1  0.665  0.605  0.996  1.0
  F  F17  1  0.978  0.316  0.700  1.0
  F  F18  1  0.030  0.652  0.288  1.0
[/CIF]
.