The crystal structure described by Li2MnF6 crystallizes in the monoclinic Pc 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), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(6) atom. 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 six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar 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 one Li(1), one Li(2), and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(1) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.221
_cell_length_b   5.083
_cell_length_c   9.073
_cell_angle_alpha   55.877
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.323
_cell_formula_units_Z   2
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  0.262  0.505  0.500  1.0
  Li  Li1  1  0.206  0.744  0.758  1.0
  Li  Li2  1  0.738  0.505  1.000  1.0
  Li  Li3  1  0.794  0.744  0.258  1.0
  Mn  Mn4  1  0.250  0.002  1.000  1.0
  Mn  Mn5  1  0.750  0.002  0.500  1.0
  F  F6  1  0.303  0.105  0.770  1.0
  F  F7  1  0.557  0.778  0.073  1.0
  F  F8  1  0.580  0.370  0.441  1.0
  F  F9  1  0.069  0.653  0.046  1.0
  F  F10  1  0.044  0.239  0.432  1.0
  F  F11  1  0.820  0.873  0.730  1.0
  F  F12  1  0.697  0.105  0.270  1.0
  F  F13  1  0.443  0.778  0.573  1.0
  F  F14  1  0.420  0.370  0.941  1.0
  F  F15  1  0.931  0.653  0.546  1.0
  F  F16  1  0.956  0.239  0.932  1.0
  F  F17  1  0.180  0.873  0.230  1.0
[/CIF]
.
The crystal structure described by Li2MnF6 crystallizes in the monoclinic Pc 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), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(6) atom. 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 six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar 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 one Li(1), one Li(2), and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(1) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.221
_cell_length_b   5.083
_cell_length_c   9.073
_cell_angle_alpha   55.877
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.323
_cell_formula_units_Z   2
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  0.262  0.505  0.500  1.0
  Li  Li1  1  0.206  0.744  0.758  1.0
  Li  Li2  1  0.738  0.505  1.000  1.0
  Li  Li3  1  0.794  0.744  0.258  1.0
  Mn  Mn4  1  0.250  0.002  1.000  1.0
  Mn  Mn5  1  0.750  0.002  0.500  1.0
  F  F6  1  0.303  0.105  0.770  1.0
  F  F7  1  0.557  0.778  0.073  1.0
  F  F8  1  0.580  0.370  0.441  1.0
  F  F9  1  0.069  0.653  0.046  1.0
  F  F10  1  0.044  0.239  0.432  1.0
  F  F11  1  0.820  0.873  0.730  1.0
  F  F12  1  0.697  0.105  0.270  1.0
  F  F13  1  0.443  0.778  0.573  1.0
  F  F14  1  0.420  0.370  0.941  1.0
  F  F15  1  0.931  0.653  0.546  1.0
  F  F16  1  0.956  0.239  0.932  1.0
  F  F17  1  0.180  0.873  0.230  1.0
[/CIF]
.