The crystal structure described by Li2MnF4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(3), one F(4), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form LiF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-66°. Mn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(2)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F6 octahedra, and edges with two equivalent Li(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Mn(1) atom. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(2), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share corners with three equivalent F(4)Li2Mn2 tetrahedra,  an edgeedge with one F(4)Li2Mn2 tetrahedra, and  an edgeedge with one F(3)Li3Mn trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form distorted FLi2Mn2 tetrahedra that share corners with two equivalent F(4)Li2Mn2 tetrahedra, corners with three equivalent F(3)Li3Mn trigonal pyramids, and  an edgeedge with one F(3)Li3Mn trigonal pyramid. is represented by the CIF file [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   6.010
_cell_length_c   10.650
_cell_angle_alpha   72.972
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.530
_cell_formula_units_Z   4
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  0.754  0.886  0.795  1.0
  Li  Li1  1  0.354  0.827  0.573  1.0
  Li  Li2  1  0.854  0.173  0.927  1.0
  Li  Li3  1  0.254  0.114  0.705  1.0
  Li  Li4  1  0.746  0.886  0.295  1.0
  Li  Li5  1  0.146  0.827  0.073  1.0
  Li  Li6  1  0.646  0.173  0.427  1.0
  Li  Li7  1  0.246  0.114  0.205  1.0
  Mn  Mn8  1  0.360  0.410  0.883  1.0
  Mn  Mn9  1  0.860  0.590  0.617  1.0
  Mn  Mn10  1  0.140  0.410  0.383  1.0
  Mn  Mn11  1  0.640  0.590  0.117  1.0
  F  F12  1  0.681  0.357  0.004  1.0
  F  F13  1  0.047  0.834  0.704  1.0
  F  F14  1  0.660  0.844  0.472  1.0
  F  F15  1  0.554  0.677  0.731  1.0
  F  F16  1  0.054  0.323  0.769  1.0
  F  F17  1  0.160  0.156  0.028  1.0
  F  F18  1  0.547  0.166  0.796  1.0
  F  F19  1  0.181  0.643  0.496  1.0
  F  F20  1  0.819  0.357  0.504  1.0
  F  F21  1  0.453  0.834  0.204  1.0
  F  F22  1  0.840  0.844  0.972  1.0
  F  F23  1  0.946  0.677  0.231  1.0
  F  F24  1  0.446  0.323  0.269  1.0
  F  F25  1  0.340  0.156  0.528  1.0
  F  F26  1  0.953  0.166  0.296  1.0
  F  F27  1  0.319  0.643  0.996  1.0
[/CIF]
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The crystal structure described by Li2MnF4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(3), one F(4), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form LiF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-66°. Mn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(2)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F6 octahedra, and edges with two equivalent Li(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Mn(1) atom. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(2), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share corners with three equivalent F(4)Li2Mn2 tetrahedra,  an edgeedge with one F(4)Li2Mn2 tetrahedra, and  an edgeedge with one F(3)Li3Mn trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form distorted FLi2Mn2 tetrahedra that share corners with two equivalent F(4)Li2Mn2 tetrahedra, corners with three equivalent F(3)Li3Mn trigonal pyramids, and  an edgeedge with one F(3)Li3Mn trigonal pyramid. is represented by the CIF file [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   6.010
_cell_length_c   10.650
_cell_angle_alpha   72.972
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.530
_cell_formula_units_Z   4
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  0.754  0.886  0.795  1.0
  Li  Li1  1  0.354  0.827  0.573  1.0
  Li  Li2  1  0.854  0.173  0.927  1.0
  Li  Li3  1  0.254  0.114  0.705  1.0
  Li  Li4  1  0.746  0.886  0.295  1.0
  Li  Li5  1  0.146  0.827  0.073  1.0
  Li  Li6  1  0.646  0.173  0.427  1.0
  Li  Li7  1  0.246  0.114  0.205  1.0
  Mn  Mn8  1  0.360  0.410  0.883  1.0
  Mn  Mn9  1  0.860  0.590  0.617  1.0
  Mn  Mn10  1  0.140  0.410  0.383  1.0
  Mn  Mn11  1  0.640  0.590  0.117  1.0
  F  F12  1  0.681  0.357  0.004  1.0
  F  F13  1  0.047  0.834  0.704  1.0
  F  F14  1  0.660  0.844  0.472  1.0
  F  F15  1  0.554  0.677  0.731  1.0
  F  F16  1  0.054  0.323  0.769  1.0
  F  F17  1  0.160  0.156  0.028  1.0
  F  F18  1  0.547  0.166  0.796  1.0
  F  F19  1  0.181  0.643  0.496  1.0
  F  F20  1  0.819  0.357  0.504  1.0
  F  F21  1  0.453  0.834  0.204  1.0
  F  F22  1  0.840  0.844  0.972  1.0
  F  F23  1  0.946  0.677  0.231  1.0
  F  F24  1  0.446  0.323  0.269  1.0
  F  F25  1  0.340  0.156  0.528  1.0
  F  F26  1  0.953  0.166  0.296  1.0
  F  F27  1  0.319  0.643  0.996  1.0
[/CIF]
.