The structure described by Li3Mn(OF)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with four equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one F(1), one F(2), and one F(4) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with four equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(1)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one F(1), one F(2), one F(3), and one F(4) atom to form LiO2F4 octahedra that share  a cornercorner with one Li(6)O2F4 octahedra,  a cornercorner with one Li(2)O3F3 octahedra, corners with four equivalent Mn(2)O3F3 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(4) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), one F(1), one F(2), one F(3), and one F(4) atom to form LiO2F4 octahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with four equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(1)O4F2 octahedra, corners with four equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share  a cornercorner with one Li(6)O2F4 octahedra,  a cornercorner with one Li(2)O3F3 octahedra, corners with four equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent F(3)Li5Mn octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one F(3)Li5Mn octahedra, corners with four equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one F(3)Li5Mn octahedra, corners with four equivalent O(2)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one F(4)Li4Mn2 octahedra,  a cornercorner with one F(1)Li5Mn octahedra, corners with four equivalent F(2)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(6), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one F(2)Li5Mn octahedra, corners with four equivalent F(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second F site, F(2) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one F(4)Li4Mn2 octahedra,  a cornercorner with one F(1)Li5Mn octahedra, corners with four equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(1) atom to form FLi5Mn octahedra that share  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth F site, F(4) is bonded to one Li(2), one Li(4), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one F(2)Li5Mn octahedra, corners with four equivalent F(1)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-10°. is represented by the CIF card [CIF]
data_Li3Mn(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.976
_cell_length_c   9.393
_cell_angle_alpha   70.343
_cell_angle_beta   70.343
_cell_angle_gamma   86.233
_symmetry_Int_Tables_number   1
_cell_volume   297.090
_cell_formula_units_Z   4
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  0.548  0.297  0.133  1.0
  Li  Li1  1  0.297  0.548  0.633  1.0
  Li  Li2  1  0.198  0.947  0.369  1.0
  Li  Li3  1  0.544  0.827  0.125  1.0
  Li  Li4  1  0.196  0.440  0.381  1.0
  Li  Li5  1  0.071  0.822  0.124  1.0
  Li  Li6  1  0.947  0.198  0.869  1.0
  Li  Li7  1  0.827  0.544  0.625  1.0
  Li  Li8  1  0.440  0.196  0.881  1.0
  Li  Li9  1  0.822  0.071  0.624  1.0
  Li  Li10  1  0.681  0.441  0.357  1.0
  Li  Li11  1  0.441  0.681  0.857  1.0
  Mn  Mn12  1  0.064  0.300  0.116  1.0
  Mn  Mn13  1  0.300  0.064  0.616  1.0
  Mn  Mn14  1  0.674  0.940  0.377  1.0
  Mn  Mn15  1  0.940  0.674  0.877  1.0
  O  O16  1  0.806  0.052  0.149  1.0
  O  O17  1  0.052  0.806  0.649  1.0
  O  O18  1  0.297  0.078  0.125  1.0
  O  O19  1  0.838  0.554  0.109  1.0
  O  O20  1  0.078  0.297  0.625  1.0
  O  O21  1  0.554  0.838  0.609  1.0
  O  O22  1  0.448  0.181  0.378  1.0
  O  O23  1  0.181  0.448  0.878  1.0
  F  F24  1  0.432  0.679  0.371  1.0
  F  F25  1  0.679  0.432  0.871  1.0
  F  F26  1  0.920  0.689  0.383  1.0
  F  F27  1  0.313  0.569  0.131  1.0
  F  F28  1  0.689  0.920  0.883  1.0
  F  F29  1  0.569  0.313  0.631  1.0
  F  F30  1  0.949  0.203  0.373  1.0
  F  F31  1  0.203  0.949  0.873  1.0
[/CIF]
.
The structure described by Li3Mn(OF)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with four equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one F(1), one F(2), and one F(4) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with four equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(1)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one F(1), one F(2), one F(3), and one F(4) atom to form LiO2F4 octahedra that share  a cornercorner with one Li(6)O2F4 octahedra,  a cornercorner with one Li(2)O3F3 octahedra, corners with four equivalent Mn(2)O3F3 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(4) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), one F(1), one F(2), one F(3), and one F(4) atom to form LiO2F4 octahedra that share  a cornercorner with one Li(4)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with four equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(1)O4F2 octahedra, corners with four equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share  a cornercorner with one Li(6)O2F4 octahedra,  a cornercorner with one Li(2)O3F3 octahedra, corners with four equivalent Li(4)O2F4 octahedra, edges with two equivalent Li(6)O2F4 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent F(3)Li5Mn octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one F(3)Li5Mn octahedra, corners with four equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one F(3)Li5Mn octahedra, corners with four equivalent O(2)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one F(4)Li4Mn2 octahedra,  a cornercorner with one F(1)Li5Mn octahedra, corners with four equivalent F(2)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(6), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one F(2)Li5Mn octahedra, corners with four equivalent F(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second F site, F(2) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(2) atom to form FLi5Mn octahedra that share  a cornercorner with one F(4)Li4Mn2 octahedra,  a cornercorner with one F(1)Li5Mn octahedra, corners with four equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Mn(1) atom to form FLi5Mn octahedra that share  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(2)Li5Mn octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(4)Li4Mn2 octahedra, edges with two equivalent F(1)Li5Mn octahedra, and edges with two equivalent F(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth F site, F(4) is bonded to one Li(2), one Li(4), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form FLi4Mn2 octahedra that share  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one F(2)Li5Mn octahedra, corners with four equivalent F(1)Li5Mn octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent F(2)Li5Mn octahedra, and edges with two equivalent F(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-10°. is represented by the CIF card [CIF]
data_Li3Mn(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.976
_cell_length_c   9.393
_cell_angle_alpha   70.343
_cell_angle_beta   70.343
_cell_angle_gamma   86.233
_symmetry_Int_Tables_number   1
_cell_volume   297.090
_cell_formula_units_Z   4
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  0.548  0.297  0.133  1.0
  Li  Li1  1  0.297  0.548  0.633  1.0
  Li  Li2  1  0.198  0.947  0.369  1.0
  Li  Li3  1  0.544  0.827  0.125  1.0
  Li  Li4  1  0.196  0.440  0.381  1.0
  Li  Li5  1  0.071  0.822  0.124  1.0
  Li  Li6  1  0.947  0.198  0.869  1.0
  Li  Li7  1  0.827  0.544  0.625  1.0
  Li  Li8  1  0.440  0.196  0.881  1.0
  Li  Li9  1  0.822  0.071  0.624  1.0
  Li  Li10  1  0.681  0.441  0.357  1.0
  Li  Li11  1  0.441  0.681  0.857  1.0
  Mn  Mn12  1  0.064  0.300  0.116  1.0
  Mn  Mn13  1  0.300  0.064  0.616  1.0
  Mn  Mn14  1  0.674  0.940  0.377  1.0
  Mn  Mn15  1  0.940  0.674  0.877  1.0
  O  O16  1  0.806  0.052  0.149  1.0
  O  O17  1  0.052  0.806  0.649  1.0
  O  O18  1  0.297  0.078  0.125  1.0
  O  O19  1  0.838  0.554  0.109  1.0
  O  O20  1  0.078  0.297  0.625  1.0
  O  O21  1  0.554  0.838  0.609  1.0
  O  O22  1  0.448  0.181  0.378  1.0
  O  O23  1  0.181  0.448  0.878  1.0
  F  F24  1  0.432  0.679  0.371  1.0
  F  F25  1  0.679  0.432  0.871  1.0
  F  F26  1  0.920  0.689  0.383  1.0
  F  F27  1  0.313  0.569  0.131  1.0
  F  F28  1  0.689  0.920  0.883  1.0
  F  F29  1  0.569  0.313  0.631  1.0
  F  F30  1  0.949  0.203  0.373  1.0
  F  F31  1  0.203  0.949  0.873  1.0
[/CIF]
.