The material described by LiMn3OF5 is Corundum-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form LiOF5 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid,  a cornercorner with one Mn(5)OF5 pentagonal pyramid,  a cornercorner with one Mn(6)OF5 pentagonal pyramid,  an edgeedge with one Mn(3)OF5 pentagonal pyramid,  an edgeedge with one Mn(5)OF5 pentagonal pyramid, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(10), one F(2), one F(7), and one F(9) atom to form LiOF5 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid,  a cornercorner with one Mn(5)OF5 pentagonal pyramid,  a cornercorner with one Mn(6)OF5 pentagonal pyramid,  an edgeedge with one Mn(3)OF5 pentagonal pyramid,  an edgeedge with one Mn(5)OF5 pentagonal pyramid, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(4), one F(6), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(10), one F(3), one F(6), and one F(8) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Li(2)OF5 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one Mn(5)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 26-45°. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(10), one F(3), one F(7), and one F(8) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Li(2)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra,  an edgeedge with one Mn(3)OF5 pentagonal pyramid, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-44°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(10), one F(2), one F(5), one F(6), and one F(9) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Li(2)OF5 octahedra, corners with two equivalent Mn(3)OF5 pentagonal pyramids,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one Mn(5)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(3), and one Mn(5) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(7)LiMn3 trigonal pyramid, corners with two equivalent F(10)LiMn3 trigonal pyramids, corners with two equivalent F(2)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(7)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one F(10)LiMn3 trigonal pyramid, corners with two equivalent F(7)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(10)LiMn3 trigonal pyramid, and  an edgeedge with one F(2)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(1)LiMn3 tetrahedra, corners with two equivalent F(10)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(7)LiMn3 trigonal pyramid. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(2), one Mn(5), and one Mn(6) 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(3), and one Mn(6) atom. In the seventh F site, F(7) is bonded to one Li(2), one Mn(2), one Mn(4), and one Mn(5) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra, corners with two equivalent F(1)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(10)LiMn3 trigonal pyramid, and  an edgeedge with one F(2)LiMn3 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(5), and one Mn(6) atom. In the tenth F site, F(10) is bonded to one Li(2), one Mn(3), one Mn(4), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(1)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(7)LiMn3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.304
_cell_length_b   6.358
_cell_length_c   6.360
_cell_angle_alpha   92.213
_cell_angle_beta   92.408
_cell_angle_gamma   91.942
_symmetry_Int_Tables_number   1
_cell_volume   254.343
_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  0.492  0.503  0.517  1.0
  Li  Li1  1  0.003  0.015  0.024  1.0
  Mn  Mn2  1  0.729  0.445  0.916  1.0
  Mn  Mn3  1  0.066  0.244  0.548  1.0
  Mn  Mn4  1  0.587  0.076  0.261  1.0
  Mn  Mn5  1  0.437  0.905  0.752  1.0
  Mn  Mn6  1  0.930  0.762  0.427  1.0
  Mn  Mn7  1  0.262  0.564  0.057  1.0
  O  O8  1  0.909  0.064  0.319  1.0
  O  O9  1  0.462  0.595  0.818  1.0
  F  F10  1  0.683  0.096  0.912  1.0
  F  F11  1  0.062  0.310  0.902  1.0
  F  F12  1  0.404  0.180  0.545  1.0
  F  F13  1  0.821  0.475  0.586  1.0
  F  F14  1  0.188  0.538  0.391  1.0
  F  F15  1  0.543  0.401  0.203  1.0
  F  F16  1  0.091  0.917  0.703  1.0
  F  F17  1  0.582  0.798  0.452  1.0
  F  F18  1  0.933  0.681  0.077  1.0
  F  F19  1  0.317  0.931  0.089  1.0
[/CIF]
.
The material described by LiMn3OF5 is Corundum-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form LiOF5 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid,  a cornercorner with one Mn(5)OF5 pentagonal pyramid,  a cornercorner with one Mn(6)OF5 pentagonal pyramid,  an edgeedge with one Mn(3)OF5 pentagonal pyramid,  an edgeedge with one Mn(5)OF5 pentagonal pyramid, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(10), one F(2), one F(7), and one F(9) atom to form LiOF5 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid,  a cornercorner with one Mn(5)OF5 pentagonal pyramid,  a cornercorner with one Mn(6)OF5 pentagonal pyramid,  an edgeedge with one Mn(3)OF5 pentagonal pyramid,  an edgeedge with one Mn(5)OF5 pentagonal pyramid, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(4), one F(6), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(10), one F(3), one F(6), and one F(8) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Li(2)OF5 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one Mn(5)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 26-45°. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(10), one F(3), one F(7), and one F(8) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Li(2)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra,  an edgeedge with one Mn(3)OF5 pentagonal pyramid, and  an edgeedge with one Mn(6)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-44°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(10), one F(2), one F(5), one F(6), and one F(9) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Li(2)OF5 octahedra, corners with two equivalent Mn(3)OF5 pentagonal pyramids,  an edgeedge with one Li(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one Mn(5)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 39-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(3), and one Mn(5) atom to form OLiMn3 tetrahedra that share  a cornercorner with one F(7)LiMn3 trigonal pyramid, corners with two equivalent F(10)LiMn3 trigonal pyramids, corners with two equivalent F(2)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(7)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one F(10)LiMn3 trigonal pyramid, corners with two equivalent F(7)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(10)LiMn3 trigonal pyramid, and  an edgeedge with one F(2)LiMn3 trigonal pyramid. In the second F site, F(2) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(1)LiMn3 tetrahedra, corners with two equivalent F(10)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(7)LiMn3 trigonal pyramid. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(2), one Mn(5), and one Mn(6) 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(3), and one Mn(6) atom. In the seventh F site, F(7) is bonded to one Li(2), one Mn(2), one Mn(4), and one Mn(5) atom to form FLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra, corners with two equivalent F(1)LiMn3 trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra,  an edgeedge with one F(10)LiMn3 trigonal pyramid, and  an edgeedge with one F(2)LiMn3 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(5), and one Mn(6) atom. In the tenth F site, F(10) is bonded to one Li(2), one Mn(3), one Mn(4), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(1)LiMn3 tetrahedra,  a cornercorner with one F(1)LiMn3 trigonal pyramid, corners with two equivalent F(2)LiMn3 trigonal pyramids,  an edgeedge with one F(1)LiMn3 trigonal pyramid, and  an edgeedge with one F(7)LiMn3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.304
_cell_length_b   6.358
_cell_length_c   6.360
_cell_angle_alpha   92.213
_cell_angle_beta   92.408
_cell_angle_gamma   91.942
_symmetry_Int_Tables_number   1
_cell_volume   254.343
_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  0.492  0.503  0.517  1.0
  Li  Li1  1  0.003  0.015  0.024  1.0
  Mn  Mn2  1  0.729  0.445  0.916  1.0
  Mn  Mn3  1  0.066  0.244  0.548  1.0
  Mn  Mn4  1  0.587  0.076  0.261  1.0
  Mn  Mn5  1  0.437  0.905  0.752  1.0
  Mn  Mn6  1  0.930  0.762  0.427  1.0
  Mn  Mn7  1  0.262  0.564  0.057  1.0
  O  O8  1  0.909  0.064  0.319  1.0
  O  O9  1  0.462  0.595  0.818  1.0
  F  F10  1  0.683  0.096  0.912  1.0
  F  F11  1  0.062  0.310  0.902  1.0
  F  F12  1  0.404  0.180  0.545  1.0
  F  F13  1  0.821  0.475  0.586  1.0
  F  F14  1  0.188  0.538  0.391  1.0
  F  F15  1  0.543  0.401  0.203  1.0
  F  F16  1  0.091  0.917  0.703  1.0
  F  F17  1  0.582  0.798  0.452  1.0
  F  F18  1  0.933  0.681  0.077  1.0
  F  F19  1  0.317  0.931  0.089  1.0
[/CIF]
.