The structure described by Li2MnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1) and three equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with five equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-80°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra and corners with ten equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(1) atom to form a mixture of distorted corner and edge-sharing FLi3Mn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.519
_cell_length_c   5.972
_cell_angle_alpha   64.730
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.550
_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  0.534  0.622  0.653  1.0
  Li  Li1  1  0.966  0.122  0.653  1.0
  Li  Li2  1  0.466  0.378  0.347  1.0
  Li  Li3  1  0.034  0.878  0.347  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.158  0.224  0.874  1.0
  F  F7  1  0.352  0.720  0.349  1.0
  F  F8  1  0.842  0.776  0.126  1.0
  F  F9  1  0.648  0.280  0.651  1.0
  F  F10  1  0.148  0.220  0.349  1.0
  F  F11  1  0.342  0.724  0.874  1.0
  F  F12  1  0.852  0.780  0.651  1.0
  F  F13  1  0.658  0.276  0.126  1.0
[/CIF]
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The structure described by Li2MnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1) and three equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with five equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-80°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra and corners with ten equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(1) atom to form a mixture of distorted corner and edge-sharing FLi3Mn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.519
_cell_length_c   5.972
_cell_angle_alpha   64.730
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.550
_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  0.534  0.622  0.653  1.0
  Li  Li1  1  0.966  0.122  0.653  1.0
  Li  Li2  1  0.466  0.378  0.347  1.0
  Li  Li3  1  0.034  0.878  0.347  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.158  0.224  0.874  1.0
  F  F7  1  0.352  0.720  0.349  1.0
  F  F8  1  0.842  0.776  0.126  1.0
  F  F9  1  0.648  0.280  0.651  1.0
  F  F10  1  0.148  0.220  0.349  1.0
  F  F11  1  0.342  0.724  0.874  1.0
  F  F12  1  0.852  0.780  0.651  1.0
  F  F13  1  0.658  0.276  0.126  1.0
[/CIF]
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