The material described by Li2MnF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form MnF6 octahedra that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form MnF6 octahedra that share edges with six equivalent Li(1)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.692
_cell_length_b   8.692
_cell_length_c   4.483
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.296
_cell_formula_units_Z   3
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  0.343  0.343  0.000  1.0
  Li  Li1  1  0.000  0.657  0.000  1.0
  Li  Li2  1  0.657  0.000  0.000  1.0
  Li  Li3  1  0.343  0.000  0.000  1.0
  Li  Li4  1  0.657  0.657  0.000  1.0
  Li  Li5  1  0.000  0.343  0.000  1.0
  Mn  Mn6  1  0.667  0.333  0.509  1.0
  Mn  Mn7  1  0.333  0.667  0.491  1.0
  Mn  Mn8  1  0.000  0.000  0.000  1.0
  F  F9  1  0.791  0.895  0.216  1.0
  F  F10  1  0.895  0.791  0.784  1.0
  F  F11  1  0.895  0.105  0.784  1.0
  F  F12  1  0.233  0.767  0.726  1.0
  F  F13  1  0.233  0.465  0.726  1.0
  F  F14  1  0.209  0.105  0.784  1.0
  F  F15  1  0.465  0.233  0.274  1.0
  F  F16  1  0.767  0.535  0.274  1.0
  F  F17  1  0.767  0.233  0.274  1.0
  F  F18  1  0.435  0.565  0.251  1.0
  F  F19  1  0.435  0.870  0.251  1.0
  F  F20  1  0.130  0.565  0.251  1.0
  F  F21  1  0.870  0.435  0.749  1.0
  F  F22  1  0.565  0.130  0.749  1.0
  F  F23  1  0.565  0.435  0.749  1.0
  F  F24  1  0.105  0.895  0.216  1.0
  F  F25  1  0.535  0.767  0.726  1.0
  F  F26  1  0.105  0.209  0.216  1.0
[/CIF]
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The material described by Li2MnF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form MnF6 octahedra that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form MnF6 octahedra that share edges with six equivalent Li(1)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.692
_cell_length_b   8.692
_cell_length_c   4.483
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.296
_cell_formula_units_Z   3
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  0.343  0.343  0.000  1.0
  Li  Li1  1  0.000  0.657  0.000  1.0
  Li  Li2  1  0.657  0.000  0.000  1.0
  Li  Li3  1  0.343  0.000  0.000  1.0
  Li  Li4  1  0.657  0.657  0.000  1.0
  Li  Li5  1  0.000  0.343  0.000  1.0
  Mn  Mn6  1  0.667  0.333  0.509  1.0
  Mn  Mn7  1  0.333  0.667  0.491  1.0
  Mn  Mn8  1  0.000  0.000  0.000  1.0
  F  F9  1  0.791  0.895  0.216  1.0
  F  F10  1  0.895  0.791  0.784  1.0
  F  F11  1  0.895  0.105  0.784  1.0
  F  F12  1  0.233  0.767  0.726  1.0
  F  F13  1  0.233  0.465  0.726  1.0
  F  F14  1  0.209  0.105  0.784  1.0
  F  F15  1  0.465  0.233  0.274  1.0
  F  F16  1  0.767  0.535  0.274  1.0
  F  F17  1  0.767  0.233  0.274  1.0
  F  F18  1  0.435  0.565  0.251  1.0
  F  F19  1  0.435  0.870  0.251  1.0
  F  F20  1  0.130  0.565  0.251  1.0
  F  F21  1  0.870  0.435  0.749  1.0
  F  F22  1  0.565  0.130  0.749  1.0
  F  F23  1  0.565  0.435  0.749  1.0
  F  F24  1  0.105  0.895  0.216  1.0
  F  F25  1  0.535  0.767  0.726  1.0
  F  F26  1  0.105  0.209  0.216  1.0
[/CIF]
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