The crystal structure described by LiMn2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with twelve equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMn2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.279
_cell_length_c   4.476
_cell_angle_alpha   89.942
_cell_angle_beta   89.942
_cell_angle_gamma   116.066
_symmetry_Int_Tables_number   1
_cell_volume   112.047
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.329  0.671  0.500  1.0
  Mn  Mn2  1  0.671  0.329  0.500  1.0
  F  F3  1  0.990  0.327  0.258  1.0
  F  F4  1  0.010  0.673  0.742  1.0
  F  F5  1  0.327  0.990  0.258  1.0
  F  F6  1  0.361  0.361  0.719  1.0
  F  F7  1  0.673  0.010  0.742  1.0
  F  F8  1  0.639  0.639  0.281  1.0
[/CIF]
.
The crystal structure described by LiMn2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with twelve equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMn2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.279
_cell_length_c   4.476
_cell_angle_alpha   89.942
_cell_angle_beta   89.942
_cell_angle_gamma   116.066
_symmetry_Int_Tables_number   1
_cell_volume   112.047
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.329  0.671  0.500  1.0
  Mn  Mn2  1  0.671  0.329  0.500  1.0
  F  F3  1  0.990  0.327  0.258  1.0
  F  F4  1  0.010  0.673  0.742  1.0
  F  F5  1  0.327  0.990  0.258  1.0
  F  F6  1  0.361  0.361  0.719  1.0
  F  F7  1  0.673  0.010  0.742  1.0
  F  F8  1  0.639  0.639  0.281  1.0
[/CIF]
.