The crystal structure described by LiMnOF2 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(7), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)F6 octahedra,  a cornercorner with one Mn(3)F6 pentagonal pyramid, corners with two equivalent Li(1)OF3 tetrahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-59°. In the second Li site, Li(2) is bonded to one O(3), one F(4), and two equivalent F(2) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)F6 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)F6 pentagonal pyramid, and corners with two equivalent Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the third Li site, Li(3) is bonded to one O(4), one F(5), and two equivalent F(3) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)F6 pentagonal pyramids, and corners with two equivalent Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the fourth Li site, Li(4) is bonded to one O(2), one F(8), and two equivalent F(6) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(3)F6 pentagonal pyramid, corners with two equivalent Li(4)OF3 tetrahedra, and  an edgeedge with one Mn(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-62°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O4F2 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(1)OF3 tetrahedra. In the third Mn site, Mn(3) is bonded to one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form distorted MnF6 pentagonal pyramids that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with three equivalent Li(3)OF3 tetrahedra, edges with three equivalent Mn(4)F6 octahedra, and  an edgeedge with one Li(4)OF3 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one F(5), one F(8), two equivalent F(4), and two equivalent F(7) atoms to form MnF6 octahedra that share  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra, edges with two equivalent Mn(4)F6 octahedra, and edges with three equivalent Mn(3)F6 pentagonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 tetrahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(3) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Mn(4) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(3), one Mn(3), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(4) and one Mn(3) atom. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), and two equivalent Mn(4) atoms. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Li(4), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.953
_cell_length_b   5.243
_cell_length_c   10.445
_cell_angle_alpha   76.688
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.098
_cell_formula_units_Z   8
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  0.415  0.252  0.941  1.0
  Li  Li1  1  0.585  0.752  0.941  1.0
  Li  Li2  1  0.590  0.144  0.576  1.0
  Li  Li3  1  0.410  0.644  0.576  1.0
  Li  Li4  1  0.089  0.327  0.457  1.0
  Li  Li5  1  0.911  0.827  0.457  1.0
  Li  Li6  1  0.905  0.260  0.032  1.0
  Li  Li7  1  0.095  0.760  0.032  1.0
  Mn  Mn8  1  0.907  0.067  0.745  1.0
  Mn  Mn9  1  0.242  0.069  0.745  1.0
  Mn  Mn10  1  0.093  0.567  0.745  1.0
  Mn  Mn11  1  0.758  0.569  0.745  1.0
  Mn  Mn12  1  0.803  0.445  0.256  1.0
  Mn  Mn13  1  0.410  0.451  0.257  1.0
  Mn  Mn14  1  0.197  0.945  0.256  1.0
  Mn  Mn15  1  0.590  0.951  0.257  1.0
  O  O16  1  0.228  0.335  0.843  1.0
  O  O17  1  0.915  0.352  0.840  1.0
  O  O18  1  0.772  0.835  0.843  1.0
  O  O19  1  0.085  0.852  0.840  1.0
  O  O20  1  0.762  0.292  0.653  1.0
  O  O21  1  0.082  0.275  0.650  1.0
  O  O22  1  0.238  0.792  0.653  1.0
  O  O23  1  0.918  0.775  0.650  1.0
  F  F24  1  0.596  0.433  0.866  1.0
  F  F25  1  0.404  0.933  0.866  1.0
  F  F26  1  0.392  0.262  0.625  1.0
  F  F27  1  0.608  0.762  0.625  1.0
  F  F28  1  0.924  0.184  0.392  1.0
  F  F29  1  0.588  0.239  0.376  1.0
  F  F30  1  0.246  0.217  0.365  1.0
  F  F31  1  0.076  0.684  0.392  1.0
  F  F32  1  0.412  0.739  0.376  1.0
  F  F33  1  0.754  0.717  0.365  1.0
  F  F34  1  0.048  0.035  0.110  1.0
  F  F35  1  0.407  0.171  0.137  1.0
  F  F36  1  0.730  0.193  0.133  1.0
  F  F37  1  0.952  0.535  0.110  1.0
  F  F38  1  0.593  0.671  0.137  1.0
  F  F39  1  0.270  0.693  0.133  1.0
[/CIF]
.
The crystal structure described by LiMnOF2 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(7), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)F6 octahedra,  a cornercorner with one Mn(3)F6 pentagonal pyramid, corners with two equivalent Li(1)OF3 tetrahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-59°. In the second Li site, Li(2) is bonded to one O(3), one F(4), and two equivalent F(2) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)F6 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)F6 pentagonal pyramid, and corners with two equivalent Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the third Li site, Li(3) is bonded to one O(4), one F(5), and two equivalent F(3) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)F6 pentagonal pyramids, and corners with two equivalent Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the fourth Li site, Li(4) is bonded to one O(2), one F(8), and two equivalent F(6) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(3)F6 pentagonal pyramid, corners with two equivalent Li(4)OF3 tetrahedra, and  an edgeedge with one Mn(3)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-62°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O4F2 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(1)OF3 tetrahedra. In the third Mn site, Mn(3) is bonded to one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form distorted MnF6 pentagonal pyramids that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with three equivalent Li(3)OF3 tetrahedra, edges with three equivalent Mn(4)F6 octahedra, and  an edgeedge with one Li(4)OF3 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one F(5), one F(8), two equivalent F(4), and two equivalent F(7) atoms to form MnF6 octahedra that share  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra, edges with two equivalent Mn(4)F6 octahedra, and edges with three equivalent Mn(3)F6 pentagonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 tetrahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(3) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Mn(4) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(3), one Mn(3), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(4) and one Mn(3) atom. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), and two equivalent Mn(4) atoms. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Li(4), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_LiMnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.953
_cell_length_b   5.243
_cell_length_c   10.445
_cell_angle_alpha   76.688
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.098
_cell_formula_units_Z   8
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  0.415  0.252  0.941  1.0
  Li  Li1  1  0.585  0.752  0.941  1.0
  Li  Li2  1  0.590  0.144  0.576  1.0
  Li  Li3  1  0.410  0.644  0.576  1.0
  Li  Li4  1  0.089  0.327  0.457  1.0
  Li  Li5  1  0.911  0.827  0.457  1.0
  Li  Li6  1  0.905  0.260  0.032  1.0
  Li  Li7  1  0.095  0.760  0.032  1.0
  Mn  Mn8  1  0.907  0.067  0.745  1.0
  Mn  Mn9  1  0.242  0.069  0.745  1.0
  Mn  Mn10  1  0.093  0.567  0.745  1.0
  Mn  Mn11  1  0.758  0.569  0.745  1.0
  Mn  Mn12  1  0.803  0.445  0.256  1.0
  Mn  Mn13  1  0.410  0.451  0.257  1.0
  Mn  Mn14  1  0.197  0.945  0.256  1.0
  Mn  Mn15  1  0.590  0.951  0.257  1.0
  O  O16  1  0.228  0.335  0.843  1.0
  O  O17  1  0.915  0.352  0.840  1.0
  O  O18  1  0.772  0.835  0.843  1.0
  O  O19  1  0.085  0.852  0.840  1.0
  O  O20  1  0.762  0.292  0.653  1.0
  O  O21  1  0.082  0.275  0.650  1.0
  O  O22  1  0.238  0.792  0.653  1.0
  O  O23  1  0.918  0.775  0.650  1.0
  F  F24  1  0.596  0.433  0.866  1.0
  F  F25  1  0.404  0.933  0.866  1.0
  F  F26  1  0.392  0.262  0.625  1.0
  F  F27  1  0.608  0.762  0.625  1.0
  F  F28  1  0.924  0.184  0.392  1.0
  F  F29  1  0.588  0.239  0.376  1.0
  F  F30  1  0.246  0.217  0.365  1.0
  F  F31  1  0.076  0.684  0.392  1.0
  F  F32  1  0.412  0.739  0.376  1.0
  F  F33  1  0.754  0.717  0.365  1.0
  F  F34  1  0.048  0.035  0.110  1.0
  F  F35  1  0.407  0.171  0.137  1.0
  F  F36  1  0.730  0.193  0.133  1.0
  F  F37  1  0.952  0.535  0.110  1.0
  F  F38  1  0.593  0.671  0.137  1.0
  F  F39  1  0.270  0.693  0.133  1.0
[/CIF]
.