The structure described by Li2MnF6 is Hydrophilite-derived structured and 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(5), two equivalent F(2), and two equivalent F(6) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second Li site, Li(2) is bonded to one F(1), one F(5), two equivalent F(3), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent Li(2)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Li(2) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.634
_cell_length_b   4.988
_cell_length_c   16.885
_cell_angle_alpha   89.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.313
_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  0.514  0.252  0.772  1.0
  Li  Li1  1  0.010  0.254  0.947  1.0
  Li  Li2  1  0.986  0.252  0.272  1.0
  Li  Li3  1  0.490  0.254  0.447  1.0
  Li  Li4  1  0.510  0.746  0.553  1.0
  Li  Li5  1  0.014  0.748  0.728  1.0
  Li  Li6  1  0.990  0.746  0.053  1.0
  Li  Li7  1  0.486  0.748  0.228  1.0
  Mn  Mn8  1  0.009  0.247  0.620  1.0
  Mn  Mn9  1  0.491  0.247  0.120  1.0
  Mn  Mn10  1  0.509  0.753  0.880  1.0
  Mn  Mn11  1  0.991  0.753  0.380  1.0
  F  F12  1  0.741  0.052  0.875  1.0
  F  F13  1  0.297  0.916  0.800  1.0
  F  F14  1  0.731  0.095  0.046  1.0
  F  F15  1  0.759  0.052  0.375  1.0
  F  F16  1  0.203  0.916  0.300  1.0
  F  F17  1  0.769  0.095  0.546  1.0
  F  F18  1  0.244  0.402  0.545  1.0
  F  F19  1  0.779  0.547  0.626  1.0
  F  F20  1  0.228  0.411  0.699  1.0
  F  F21  1  0.728  0.589  0.801  1.0
  F  F22  1  0.256  0.402  0.045  1.0
  F  F23  1  0.279  0.453  0.874  1.0
  F  F24  1  0.721  0.547  0.126  1.0
  F  F25  1  0.744  0.598  0.955  1.0
  F  F26  1  0.272  0.411  0.199  1.0
  F  F27  1  0.772  0.589  0.301  1.0
  F  F28  1  0.221  0.453  0.374  1.0
  F  F29  1  0.756  0.598  0.455  1.0
  F  F30  1  0.231  0.905  0.454  1.0
  F  F31  1  0.797  0.084  0.700  1.0
  F  F32  1  0.241  0.948  0.625  1.0
  F  F33  1  0.269  0.905  0.954  1.0
  F  F34  1  0.703  0.084  0.200  1.0
  F  F35  1  0.259  0.948  0.125  1.0
[/CIF]
.
The structure described by Li2MnF6 is Hydrophilite-derived structured and 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(5), two equivalent F(2), and two equivalent F(6) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second Li site, Li(2) is bonded to one F(1), one F(5), two equivalent F(3), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent Li(2)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Li(2) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.634
_cell_length_b   4.988
_cell_length_c   16.885
_cell_angle_alpha   89.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.313
_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  0.514  0.252  0.772  1.0
  Li  Li1  1  0.010  0.254  0.947  1.0
  Li  Li2  1  0.986  0.252  0.272  1.0
  Li  Li3  1  0.490  0.254  0.447  1.0
  Li  Li4  1  0.510  0.746  0.553  1.0
  Li  Li5  1  0.014  0.748  0.728  1.0
  Li  Li6  1  0.990  0.746  0.053  1.0
  Li  Li7  1  0.486  0.748  0.228  1.0
  Mn  Mn8  1  0.009  0.247  0.620  1.0
  Mn  Mn9  1  0.491  0.247  0.120  1.0
  Mn  Mn10  1  0.509  0.753  0.880  1.0
  Mn  Mn11  1  0.991  0.753  0.380  1.0
  F  F12  1  0.741  0.052  0.875  1.0
  F  F13  1  0.297  0.916  0.800  1.0
  F  F14  1  0.731  0.095  0.046  1.0
  F  F15  1  0.759  0.052  0.375  1.0
  F  F16  1  0.203  0.916  0.300  1.0
  F  F17  1  0.769  0.095  0.546  1.0
  F  F18  1  0.244  0.402  0.545  1.0
  F  F19  1  0.779  0.547  0.626  1.0
  F  F20  1  0.228  0.411  0.699  1.0
  F  F21  1  0.728  0.589  0.801  1.0
  F  F22  1  0.256  0.402  0.045  1.0
  F  F23  1  0.279  0.453  0.874  1.0
  F  F24  1  0.721  0.547  0.126  1.0
  F  F25  1  0.744  0.598  0.955  1.0
  F  F26  1  0.272  0.411  0.199  1.0
  F  F27  1  0.772  0.589  0.301  1.0
  F  F28  1  0.221  0.453  0.374  1.0
  F  F29  1  0.756  0.598  0.455  1.0
  F  F30  1  0.231  0.905  0.454  1.0
  F  F31  1  0.797  0.084  0.700  1.0
  F  F32  1  0.241  0.948  0.625  1.0
  F  F33  1  0.269  0.905  0.954  1.0
  F  F34  1  0.703  0.084  0.200  1.0
  F  F35  1  0.259  0.948  0.125  1.0
[/CIF]
.