The structure described by Li2MnF4 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four 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(2) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 trigonal pyramids. In the second F site, F(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.147
_cell_length_b   5.050
_cell_length_c   10.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.484
_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  0.500  0.970  0.291  1.0
  Li  Li1  1  0.500  0.530  0.791  1.0
  Li  Li2  1  0.500  0.470  0.209  1.0
  Li  Li3  1  0.500  0.030  0.709  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.000  0.757  0.827  1.0
  F  F7  1  0.000  0.257  0.673  1.0
  F  F8  1  0.500  0.782  0.098  1.0
  F  F9  1  0.500  0.282  0.402  1.0
  F  F10  1  0.500  0.718  0.598  1.0
  F  F11  1  0.500  0.218  0.902  1.0
  F  F12  1  0.000  0.743  0.327  1.0
  F  F13  1  0.000  0.243  0.173  1.0
[/CIF]
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The structure described by Li2MnF4 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four 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(2) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 trigonal pyramids. In the second F site, F(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.147
_cell_length_b   5.050
_cell_length_c   10.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.484
_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  0.500  0.970  0.291  1.0
  Li  Li1  1  0.500  0.530  0.791  1.0
  Li  Li2  1  0.500  0.470  0.209  1.0
  Li  Li3  1  0.500  0.030  0.709  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.000  0.757  0.827  1.0
  F  F7  1  0.000  0.257  0.673  1.0
  F  F8  1  0.500  0.782  0.098  1.0
  F  F9  1  0.500  0.282  0.402  1.0
  F  F10  1  0.500  0.718  0.598  1.0
  F  F11  1  0.500  0.218  0.902  1.0
  F  F12  1  0.000  0.743  0.327  1.0
  F  F13  1  0.000  0.243  0.173  1.0
[/CIF]
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