The crystal structure described by LiMnF3 crystallizes in the tetragonal P4_2/n space group. Li(1) is bonded to one F(1), one F(3), and three equivalent F(2) atoms to form LiF5 trigonal bipyramids that share corners with four equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-71°. Mn(1) is bonded to one F(2), two equivalent F(1), and three equivalent F(3) atoms to form distorted MnF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F6 octahedra, and edges with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 27-68°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FLiMn3 tetrahedra. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.859
_cell_length_b   8.859
_cell_length_c   6.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.942
_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  0.948  0.849  0.161  1.0
  Li  Li1  1  0.849  0.052  0.839  1.0
  Li  Li2  1  0.151  0.948  0.839  1.0
  Li  Li3  1  0.052  0.151  0.161  1.0
  Li  Li4  1  0.448  0.349  0.339  1.0
  Li  Li5  1  0.349  0.552  0.661  1.0
  Li  Li6  1  0.651  0.448  0.661  1.0
  Li  Li7  1  0.552  0.651  0.339  1.0
  Mn  Mn8  1  0.523  0.807  0.897  1.0
  Mn  Mn9  1  0.307  0.977  0.397  1.0
  Mn  Mn10  1  0.693  0.023  0.397  1.0
  Mn  Mn11  1  0.477  0.193  0.897  1.0
  Mn  Mn12  1  0.023  0.307  0.603  1.0
  Mn  Mn13  1  0.807  0.477  0.103  1.0
  Mn  Mn14  1  0.193  0.523  0.103  1.0
  Mn  Mn15  1  0.977  0.693  0.603  1.0
  F  F16  1  0.822  0.828  0.437  1.0
  F  F17  1  0.950  0.845  0.854  1.0
  F  F18  1  0.498  0.859  0.273  1.0
  F  F19  1  0.172  0.822  0.563  1.0
  F  F20  1  0.641  0.998  0.773  1.0
  F  F21  1  0.155  0.950  0.146  1.0
  F  F22  1  0.845  0.050  0.146  1.0
  F  F23  1  0.359  0.002  0.773  1.0
  F  F24  1  0.828  0.178  0.563  1.0
  F  F25  1  0.502  0.141  0.273  1.0
  F  F26  1  0.050  0.155  0.854  1.0
  F  F27  1  0.178  0.172  0.437  1.0
  F  F28  1  0.322  0.328  0.063  1.0
  F  F29  1  0.450  0.345  0.646  1.0
  F  F30  1  0.998  0.359  0.227  1.0
  F  F31  1  0.672  0.322  0.937  1.0
  F  F32  1  0.141  0.498  0.727  1.0
  F  F33  1  0.655  0.450  0.354  1.0
  F  F34  1  0.345  0.550  0.354  1.0
  F  F35  1  0.859  0.502  0.727  1.0
  F  F36  1  0.328  0.678  0.937  1.0
  F  F37  1  0.002  0.641  0.227  1.0
  F  F38  1  0.550  0.655  0.646  1.0
  F  F39  1  0.678  0.672  0.063  1.0
[/CIF]
.
The crystal structure described by LiMnF3 crystallizes in the tetragonal P4_2/n space group. Li(1) is bonded to one F(1), one F(3), and three equivalent F(2) atoms to form LiF5 trigonal bipyramids that share corners with four equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-71°. Mn(1) is bonded to one F(2), two equivalent F(1), and three equivalent F(3) atoms to form distorted MnF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F6 octahedra, and edges with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 27-68°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FLiMn3 tetrahedra. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.859
_cell_length_b   8.859
_cell_length_c   6.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.942
_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  0.948  0.849  0.161  1.0
  Li  Li1  1  0.849  0.052  0.839  1.0
  Li  Li2  1  0.151  0.948  0.839  1.0
  Li  Li3  1  0.052  0.151  0.161  1.0
  Li  Li4  1  0.448  0.349  0.339  1.0
  Li  Li5  1  0.349  0.552  0.661  1.0
  Li  Li6  1  0.651  0.448  0.661  1.0
  Li  Li7  1  0.552  0.651  0.339  1.0
  Mn  Mn8  1  0.523  0.807  0.897  1.0
  Mn  Mn9  1  0.307  0.977  0.397  1.0
  Mn  Mn10  1  0.693  0.023  0.397  1.0
  Mn  Mn11  1  0.477  0.193  0.897  1.0
  Mn  Mn12  1  0.023  0.307  0.603  1.0
  Mn  Mn13  1  0.807  0.477  0.103  1.0
  Mn  Mn14  1  0.193  0.523  0.103  1.0
  Mn  Mn15  1  0.977  0.693  0.603  1.0
  F  F16  1  0.822  0.828  0.437  1.0
  F  F17  1  0.950  0.845  0.854  1.0
  F  F18  1  0.498  0.859  0.273  1.0
  F  F19  1  0.172  0.822  0.563  1.0
  F  F20  1  0.641  0.998  0.773  1.0
  F  F21  1  0.155  0.950  0.146  1.0
  F  F22  1  0.845  0.050  0.146  1.0
  F  F23  1  0.359  0.002  0.773  1.0
  F  F24  1  0.828  0.178  0.563  1.0
  F  F25  1  0.502  0.141  0.273  1.0
  F  F26  1  0.050  0.155  0.854  1.0
  F  F27  1  0.178  0.172  0.437  1.0
  F  F28  1  0.322  0.328  0.063  1.0
  F  F29  1  0.450  0.345  0.646  1.0
  F  F30  1  0.998  0.359  0.227  1.0
  F  F31  1  0.672  0.322  0.937  1.0
  F  F32  1  0.141  0.498  0.727  1.0
  F  F33  1  0.655  0.450  0.354  1.0
  F  F34  1  0.345  0.550  0.354  1.0
  F  F35  1  0.859  0.502  0.727  1.0
  F  F36  1  0.328  0.678  0.937  1.0
  F  F37  1  0.002  0.641  0.227  1.0
  F  F38  1  0.550  0.655  0.646  1.0
  F  F39  1  0.678  0.672  0.063  1.0
[/CIF]
.