The crystal structure described by Li2MnF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(2) and three equivalent F(1) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing MnF6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Li(1) and one Mn(1) atom to form a mixture of corner and edge-sharing FLi3Mn trigonal pyramids. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   5.929
_cell_length_c   5.434
_cell_angle_alpha   86.930
_cell_angle_beta   86.930
_cell_angle_gamma   58.389
_symmetry_Int_Tables_number   1
_cell_volume   162.360
_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  0.649  0.947  0.283  1.0
  Li  Li1  1  0.947  0.649  0.783  1.0
  Li  Li2  1  0.053  0.351  0.217  1.0
  Li  Li3  1  0.351  0.053  0.717  1.0
  Mn  Mn4  1  0.339  0.661  0.250  1.0
  Mn  Mn5  1  0.661  0.339  0.750  1.0
  F  F6  1  0.281  0.017  0.382  1.0
  F  F7  1  0.017  0.281  0.882  1.0
  F  F8  1  0.730  0.499  0.412  1.0
  F  F9  1  0.499  0.730  0.912  1.0
  F  F10  1  0.501  0.270  0.088  1.0
  F  F11  1  0.270  0.501  0.588  1.0
  F  F12  1  0.983  0.719  0.118  1.0
  F  F13  1  0.719  0.983  0.618  1.0
[/CIF]
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The crystal structure described by Li2MnF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(2) and three equivalent F(1) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing MnF6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Li(1) and one Mn(1) atom to form a mixture of corner and edge-sharing FLi3Mn trigonal pyramids. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   5.929
_cell_length_c   5.434
_cell_angle_alpha   86.930
_cell_angle_beta   86.930
_cell_angle_gamma   58.389
_symmetry_Int_Tables_number   1
_cell_volume   162.360
_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  0.649  0.947  0.283  1.0
  Li  Li1  1  0.947  0.649  0.783  1.0
  Li  Li2  1  0.053  0.351  0.217  1.0
  Li  Li3  1  0.351  0.053  0.717  1.0
  Mn  Mn4  1  0.339  0.661  0.250  1.0
  Mn  Mn5  1  0.661  0.339  0.750  1.0
  F  F6  1  0.281  0.017  0.382  1.0
  F  F7  1  0.017  0.281  0.882  1.0
  F  F8  1  0.730  0.499  0.412  1.0
  F  F9  1  0.499  0.730  0.912  1.0
  F  F10  1  0.501  0.270  0.088  1.0
  F  F11  1  0.270  0.501  0.588  1.0
  F  F12  1  0.983  0.719  0.118  1.0
  F  F13  1  0.719  0.983  0.618  1.0
[/CIF]
.