The structure described by Li2Mn3F8 crystallizes in the tetragonal I4_1/a space group. Li(1) is bonded to one F(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(2)F4 tetrahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. In the second Mn site, Mn(2) is bonded to four equivalent F(2) atoms to form MnF4 tetrahedra that share corners with eight equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 62-72°. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form distorted FLi2Mn2 tetrahedra that share corners with three equivalent F(2)Li2Mn2 tetrahedra, corners with four equivalent F(4)Li2Mn2 tetrahedra, corners with four equivalent F(3)LiMn3 tetrahedra,  an edgeedge with one F(2)Li2Mn2 tetrahedra, and  an edgeedge with one F(4)Li2Mn2 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted FLiMn3 tetrahedra that share corners with three equivalent F(3)LiMn3 tetrahedra, corners with four equivalent F(2)Li2Mn2 tetrahedra, corners with four equivalent F(4)Li2Mn2 tetrahedra,  an edgeedge with one F(4)Li2Mn2 tetrahedra, and  an edgeedge with one F(3)LiMn3 tetrahedra. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 tetrahedra that share corners with four equivalent F(2)Li2Mn2 tetrahedra, corners with four equivalent F(3)LiMn3 tetrahedra,  an edgeedge with one F(2)Li2Mn2 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and edges with two equivalent F(4)Li2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.394
_cell_length_b   9.394
_cell_length_c   9.394
_cell_angle_alpha   107.390
_cell_angle_beta   107.390
_cell_angle_gamma   113.719
_symmetry_Int_Tables_number   1
_cell_volume   635.451
_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  0.339  0.440  0.287  1.0
  Li  Li1  1  0.098  0.698  0.787  1.0
  Li  Li2  1  0.948  0.661  0.100  1.0
  Li  Li3  1  0.690  0.902  0.600  1.0
  Li  Li4  1  0.560  0.848  0.900  1.0
  Li  Li5  1  0.302  0.089  0.400  1.0
  Li  Li6  1  0.911  0.310  0.213  1.0
  Li  Li7  1  0.152  0.052  0.713  1.0
  Mn  Mn8  1  0.782  0.611  0.437  1.0
  Mn  Mn9  1  0.250  0.750  0.500  1.0
  Mn  Mn10  1  0.750  0.250  0.500  1.0
  Mn  Mn11  1  0.654  0.218  0.829  1.0
  Mn  Mn12  1  0.861  0.924  0.329  1.0
  Mn  Mn13  1  0.174  0.346  0.563  1.0
  Mn  Mn14  1  0.076  0.404  0.937  1.0
  Mn  Mn15  1  0.596  0.532  0.671  1.0
  Mn  Mn16  1  0.389  0.826  0.171  1.0
  Mn  Mn17  1  0.000  0.000  0.000  1.0
  Mn  Mn18  1  0.500  0.500  0.000  1.0
  Mn  Mn19  1  0.468  0.139  0.063  1.0
  F  F20  1  0.813  0.663  0.242  1.0
  F  F21  1  0.244  0.836  0.327  1.0
  F  F22  1  0.741  0.833  0.827  1.0
  F  F23  1  0.761  0.360  0.330  1.0
  F  F24  1  0.821  0.563  0.650  1.0
  F  F25  1  0.083  0.756  0.592  1.0
  F  F26  1  0.164  0.491  0.408  1.0
  F  F27  1  0.681  0.511  0.901  1.0
  F  F28  1  0.640  0.970  0.401  1.0
  F  F29  1  0.913  0.171  0.350  1.0
  F  F30  1  0.030  0.431  0.670  1.0
  F  F31  1  0.102  0.659  0.983  1.0
  F  F32  1  0.574  0.632  0.483  1.0
  F  F33  1  0.829  0.179  0.742  1.0
  F  F34  1  0.341  0.324  0.443  1.0
  F  F35  1  0.368  0.852  0.943  1.0
  F  F36  1  0.882  0.898  0.557  1.0
  F  F37  1  0.909  0.426  0.057  1.0
  F  F38  1  0.421  0.571  0.758  1.0
  F  F39  1  0.148  0.091  0.517  1.0
  F  F40  1  0.676  0.118  0.017  1.0
  F  F41  1  0.220  0.319  0.830  1.0
  F  F42  1  0.337  0.579  0.150  1.0
  F  F43  1  0.610  0.780  0.099  1.0
  F  F44  1  0.569  0.239  0.599  1.0
  F  F45  1  0.086  0.259  0.092  1.0
  F  F46  1  0.167  0.994  0.908  1.0
  F  F47  1  0.429  0.187  0.850  1.0
  F  F48  1  0.489  0.390  0.170  1.0
  F  F49  1  0.006  0.914  0.173  1.0
  F  F50  1  0.509  0.917  0.673  1.0
  F  F51  1  0.437  0.087  0.258  1.0
[/CIF]
.
The structure described by Li2Mn3F8 crystallizes in the tetragonal I4_1/a space group. Li(1) is bonded to one F(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(2)F4 tetrahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. In the second Mn site, Mn(2) is bonded to four equivalent F(2) atoms to form MnF4 tetrahedra that share corners with eight equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 62-72°. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form distorted FLi2Mn2 tetrahedra that share corners with three equivalent F(2)Li2Mn2 tetrahedra, corners with four equivalent F(4)Li2Mn2 tetrahedra, corners with four equivalent F(3)LiMn3 tetrahedra,  an edgeedge with one F(2)Li2Mn2 tetrahedra, and  an edgeedge with one F(4)Li2Mn2 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted FLiMn3 tetrahedra that share corners with three equivalent F(3)LiMn3 tetrahedra, corners with four equivalent F(2)Li2Mn2 tetrahedra, corners with four equivalent F(4)Li2Mn2 tetrahedra,  an edgeedge with one F(4)Li2Mn2 tetrahedra, and  an edgeedge with one F(3)LiMn3 tetrahedra. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 tetrahedra that share corners with four equivalent F(2)Li2Mn2 tetrahedra, corners with four equivalent F(3)LiMn3 tetrahedra,  an edgeedge with one F(2)Li2Mn2 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and edges with two equivalent F(4)Li2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.394
_cell_length_b   9.394
_cell_length_c   9.394
_cell_angle_alpha   107.390
_cell_angle_beta   107.390
_cell_angle_gamma   113.719
_symmetry_Int_Tables_number   1
_cell_volume   635.451
_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  0.339  0.440  0.287  1.0
  Li  Li1  1  0.098  0.698  0.787  1.0
  Li  Li2  1  0.948  0.661  0.100  1.0
  Li  Li3  1  0.690  0.902  0.600  1.0
  Li  Li4  1  0.560  0.848  0.900  1.0
  Li  Li5  1  0.302  0.089  0.400  1.0
  Li  Li6  1  0.911  0.310  0.213  1.0
  Li  Li7  1  0.152  0.052  0.713  1.0
  Mn  Mn8  1  0.782  0.611  0.437  1.0
  Mn  Mn9  1  0.250  0.750  0.500  1.0
  Mn  Mn10  1  0.750  0.250  0.500  1.0
  Mn  Mn11  1  0.654  0.218  0.829  1.0
  Mn  Mn12  1  0.861  0.924  0.329  1.0
  Mn  Mn13  1  0.174  0.346  0.563  1.0
  Mn  Mn14  1  0.076  0.404  0.937  1.0
  Mn  Mn15  1  0.596  0.532  0.671  1.0
  Mn  Mn16  1  0.389  0.826  0.171  1.0
  Mn  Mn17  1  0.000  0.000  0.000  1.0
  Mn  Mn18  1  0.500  0.500  0.000  1.0
  Mn  Mn19  1  0.468  0.139  0.063  1.0
  F  F20  1  0.813  0.663  0.242  1.0
  F  F21  1  0.244  0.836  0.327  1.0
  F  F22  1  0.741  0.833  0.827  1.0
  F  F23  1  0.761  0.360  0.330  1.0
  F  F24  1  0.821  0.563  0.650  1.0
  F  F25  1  0.083  0.756  0.592  1.0
  F  F26  1  0.164  0.491  0.408  1.0
  F  F27  1  0.681  0.511  0.901  1.0
  F  F28  1  0.640  0.970  0.401  1.0
  F  F29  1  0.913  0.171  0.350  1.0
  F  F30  1  0.030  0.431  0.670  1.0
  F  F31  1  0.102  0.659  0.983  1.0
  F  F32  1  0.574  0.632  0.483  1.0
  F  F33  1  0.829  0.179  0.742  1.0
  F  F34  1  0.341  0.324  0.443  1.0
  F  F35  1  0.368  0.852  0.943  1.0
  F  F36  1  0.882  0.898  0.557  1.0
  F  F37  1  0.909  0.426  0.057  1.0
  F  F38  1  0.421  0.571  0.758  1.0
  F  F39  1  0.148  0.091  0.517  1.0
  F  F40  1  0.676  0.118  0.017  1.0
  F  F41  1  0.220  0.319  0.830  1.0
  F  F42  1  0.337  0.579  0.150  1.0
  F  F43  1  0.610  0.780  0.099  1.0
  F  F44  1  0.569  0.239  0.599  1.0
  F  F45  1  0.086  0.259  0.092  1.0
  F  F46  1  0.167  0.994  0.908  1.0
  F  F47  1  0.429  0.187  0.850  1.0
  F  F48  1  0.489  0.390  0.170  1.0
  F  F49  1  0.006  0.914  0.173  1.0
  F  F50  1  0.509  0.917  0.673  1.0
  F  F51  1  0.437  0.087  0.258  1.0
[/CIF]
.