The material structure described by Li2Mn3F8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(5) atom to form LiF4 tetrahedra that share corners with three equivalent Mn(3)F6 octahedra, corners with two equivalent Mn(2)F5 trigonal bipyramids, and corners with three equivalent Mn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-63°. In the second Li site, Li(2) is bonded to one F(4), one F(6), one F(7), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(3)F6 octahedra, corners with two equivalent Mn(1)F5 trigonal bipyramids, corners with three equivalent Mn(2)F5 trigonal bipyramids, and  an edgeedge with one Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(7) atom to form MnF5 trigonal bipyramids that share corners with two equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra,  a cornercorner with one Mn(2)F5 trigonal bipyramid,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(2)F5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one F(1), one F(3), one F(4), one F(6), and one F(8) atom to form MnF5 trigonal bipyramids that share corners with two equivalent Mn(3)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra,  a cornercorner with one Mn(1)F5 trigonal bipyramid, and  an edgeedge with one Mn(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-56°. In the third Mn site, Mn(3) is bonded to one F(2), one F(6), one F(7), one F(8), and two equivalent F(5) atoms to form MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra, corners with two equivalent Mn(2)F5 trigonal bipyramids,  an edgeedge with one Mn(3)F6 octahedra,  an edgeedge with one Li(2)F4 tetrahedra, and  an edgeedge with one Mn(1)F5 trigonal bipyramid. There are eight inequivalent F sites. In the first F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(3) atom. In the second F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the third F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the fifth F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the seventh F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(3) atoms. In the eighth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Li2Mn3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.553
_cell_length_b   6.864
_cell_length_c   11.389
_cell_angle_alpha   88.073
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   746.355
_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  0.055  0.901  0.857  1.0
  Li  Li1  1  0.445  0.901  0.357  1.0
  Li  Li2  1  0.607  0.588  0.860  1.0
  Li  Li3  1  0.893  0.588  0.360  1.0
  Li  Li4  1  0.107  0.412  0.640  1.0
  Li  Li5  1  0.393  0.412  0.140  1.0
  Li  Li6  1  0.555  0.099  0.643  1.0
  Li  Li7  1  0.945  0.099  0.143  1.0
  Mn  Mn8  1  0.197  0.907  0.566  1.0
  Mn  Mn9  1  0.303  0.907  0.066  1.0
  Mn  Mn10  1  0.844  0.760  0.644  1.0
  Mn  Mn11  1  0.656  0.760  0.144  1.0
  Mn  Mn12  1  0.454  0.610  0.623  1.0
  Mn  Mn13  1  0.046  0.610  0.123  1.0
  Mn  Mn14  1  0.954  0.390  0.877  1.0
  Mn  Mn15  1  0.546  0.390  0.377  1.0
  Mn  Mn16  1  0.344  0.240  0.856  1.0
  Mn  Mn17  1  0.156  0.240  0.356  1.0
  Mn  Mn18  1  0.697  0.093  0.934  1.0
  Mn  Mn19  1  0.803  0.093  0.434  1.0
  F  F20  1  0.247  0.961  0.891  1.0
  F  F21  1  0.253  0.961  0.391  1.0
  F  F22  1  0.402  0.919  0.626  1.0
  F  F23  1  0.098  0.919  0.126  1.0
  F  F24  1  0.040  0.872  0.691  1.0
  F  F25  1  0.460  0.872  0.191  1.0
  F  F26  1  0.616  0.799  0.963  1.0
  F  F27  1  0.884  0.799  0.463  1.0
  F  F28  1  0.992  0.672  0.939  1.0
  F  F29  1  0.651  0.676  0.704  1.0
  F  F30  1  0.508  0.672  0.439  1.0
  F  F31  1  0.849  0.676  0.204  1.0
  F  F32  1  0.233  0.604  0.583  1.0
  F  F33  1  0.267  0.604  0.083  1.0
  F  F34  1  0.425  0.511  0.807  1.0
  F  F35  1  0.075  0.511  0.307  1.0
  F  F36  1  0.925  0.489  0.693  1.0
  F  F37  1  0.575  0.489  0.193  1.0
  F  F38  1  0.733  0.396  0.917  1.0
  F  F39  1  0.767  0.396  0.417  1.0
  F  F40  1  0.151  0.324  0.796  1.0
  F  F41  1  0.492  0.328  0.561  1.0
  F  F42  1  0.349  0.324  0.296  1.0
  F  F43  1  0.008  0.328  0.061  1.0
  F  F44  1  0.116  0.201  0.537  1.0
  F  F45  1  0.384  0.201  0.037  1.0
  F  F46  1  0.540  0.128  0.809  1.0
  F  F47  1  0.960  0.128  0.309  1.0
  F  F48  1  0.902  0.081  0.874  1.0
  F  F49  1  0.598  0.081  0.374  1.0
  F  F50  1  0.747  0.039  0.609  1.0
  F  F51  1  0.753  0.039  0.109  1.0
[/CIF]
.
The material structure described by Li2Mn3F8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(5) atom to form LiF4 tetrahedra that share corners with three equivalent Mn(3)F6 octahedra, corners with two equivalent Mn(2)F5 trigonal bipyramids, and corners with three equivalent Mn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-63°. In the second Li site, Li(2) is bonded to one F(4), one F(6), one F(7), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(3)F6 octahedra, corners with two equivalent Mn(1)F5 trigonal bipyramids, corners with three equivalent Mn(2)F5 trigonal bipyramids, and  an edgeedge with one Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(7) atom to form MnF5 trigonal bipyramids that share corners with two equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra,  a cornercorner with one Mn(2)F5 trigonal bipyramid,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(2)F5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one F(1), one F(3), one F(4), one F(6), and one F(8) atom to form MnF5 trigonal bipyramids that share corners with two equivalent Mn(3)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra,  a cornercorner with one Mn(1)F5 trigonal bipyramid, and  an edgeedge with one Mn(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-56°. In the third Mn site, Mn(3) is bonded to one F(2), one F(6), one F(7), one F(8), and two equivalent F(5) atoms to form MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra, corners with two equivalent Mn(2)F5 trigonal bipyramids,  an edgeedge with one Mn(3)F6 octahedra,  an edgeedge with one Li(2)F4 tetrahedra, and  an edgeedge with one Mn(1)F5 trigonal bipyramid. There are eight inequivalent F sites. In the first F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(3) atom. In the second F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the third F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the fifth F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the seventh F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(3) atoms. In the eighth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Li2Mn3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.553
_cell_length_b   6.864
_cell_length_c   11.389
_cell_angle_alpha   88.073
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   746.355
_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  0.055  0.901  0.857  1.0
  Li  Li1  1  0.445  0.901  0.357  1.0
  Li  Li2  1  0.607  0.588  0.860  1.0
  Li  Li3  1  0.893  0.588  0.360  1.0
  Li  Li4  1  0.107  0.412  0.640  1.0
  Li  Li5  1  0.393  0.412  0.140  1.0
  Li  Li6  1  0.555  0.099  0.643  1.0
  Li  Li7  1  0.945  0.099  0.143  1.0
  Mn  Mn8  1  0.197  0.907  0.566  1.0
  Mn  Mn9  1  0.303  0.907  0.066  1.0
  Mn  Mn10  1  0.844  0.760  0.644  1.0
  Mn  Mn11  1  0.656  0.760  0.144  1.0
  Mn  Mn12  1  0.454  0.610  0.623  1.0
  Mn  Mn13  1  0.046  0.610  0.123  1.0
  Mn  Mn14  1  0.954  0.390  0.877  1.0
  Mn  Mn15  1  0.546  0.390  0.377  1.0
  Mn  Mn16  1  0.344  0.240  0.856  1.0
  Mn  Mn17  1  0.156  0.240  0.356  1.0
  Mn  Mn18  1  0.697  0.093  0.934  1.0
  Mn  Mn19  1  0.803  0.093  0.434  1.0
  F  F20  1  0.247  0.961  0.891  1.0
  F  F21  1  0.253  0.961  0.391  1.0
  F  F22  1  0.402  0.919  0.626  1.0
  F  F23  1  0.098  0.919  0.126  1.0
  F  F24  1  0.040  0.872  0.691  1.0
  F  F25  1  0.460  0.872  0.191  1.0
  F  F26  1  0.616  0.799  0.963  1.0
  F  F27  1  0.884  0.799  0.463  1.0
  F  F28  1  0.992  0.672  0.939  1.0
  F  F29  1  0.651  0.676  0.704  1.0
  F  F30  1  0.508  0.672  0.439  1.0
  F  F31  1  0.849  0.676  0.204  1.0
  F  F32  1  0.233  0.604  0.583  1.0
  F  F33  1  0.267  0.604  0.083  1.0
  F  F34  1  0.425  0.511  0.807  1.0
  F  F35  1  0.075  0.511  0.307  1.0
  F  F36  1  0.925  0.489  0.693  1.0
  F  F37  1  0.575  0.489  0.193  1.0
  F  F38  1  0.733  0.396  0.917  1.0
  F  F39  1  0.767  0.396  0.417  1.0
  F  F40  1  0.151  0.324  0.796  1.0
  F  F41  1  0.492  0.328  0.561  1.0
  F  F42  1  0.349  0.324  0.296  1.0
  F  F43  1  0.008  0.328  0.061  1.0
  F  F44  1  0.116  0.201  0.537  1.0
  F  F45  1  0.384  0.201  0.037  1.0
  F  F46  1  0.540  0.128  0.809  1.0
  F  F47  1  0.960  0.128  0.309  1.0
  F  F48  1  0.902  0.081  0.874  1.0
  F  F49  1  0.598  0.081  0.374  1.0
  F  F50  1  0.747  0.039  0.609  1.0
  F  F51  1  0.753  0.039  0.109  1.0
[/CIF]
.