The structure described by Li3MnF6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one F(2), one F(3), and one F(6) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one F(2), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), and one Mn(1) atom to form distorted corner-sharing FLi3Mn trigonal pyramids. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Li(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to two equivalent Li(3) and one Mn(2) atom. In the sixth F site, F(6) is bonded to one Li(2), two equivalent Li(3), and one Mn(2) atom to form distorted corner-sharing FLi3Mn trigonal pyramids. is represented by the CIF card [CIF]
data_Li3MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   8.713
_cell_length_c   9.807
_cell_angle_alpha   80.069
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.147
_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  0.010  0.876  0.820  1.0
  Li  Li1  1  0.490  0.876  0.320  1.0
  Li  Li2  1  0.637  0.758  0.644  1.0
  Li  Li3  1  0.863  0.758  0.144  1.0
  Li  Li4  1  0.083  0.575  0.637  1.0
  Li  Li5  1  0.417  0.575  0.137  1.0
  Li  Li6  1  0.583  0.425  0.863  1.0
  Li  Li7  1  0.917  0.425  0.363  1.0
  Li  Li8  1  0.137  0.242  0.856  1.0
  Li  Li9  1  0.363  0.242  0.356  1.0
  Li  Li10  1  0.510  0.124  0.680  1.0
  Li  Li11  1  0.990  0.124  0.180  1.0
  Mn  Mn12  1  0.000  0.000  0.500  1.0
  Mn  Mn13  1  0.500  0.000  0.000  1.0
  Mn  Mn14  1  0.500  0.500  0.500  1.0
  Mn  Mn15  1  0.000  0.500  0.000  1.0
  F  F16  1  0.639  0.923  0.850  1.0
  F  F17  1  0.861  0.923  0.350  1.0
  F  F18  1  0.513  0.778  0.158  1.0
  F  F19  1  0.812  0.990  0.079  1.0
  F  F20  1  0.378  0.705  0.456  1.0
  F  F21  1  0.987  0.778  0.658  1.0
  F  F22  1  0.688  0.990  0.579  1.0
  F  F23  1  0.690  0.583  0.980  1.0
  F  F24  1  0.122  0.705  0.956  1.0
  F  F25  1  0.476  0.563  0.702  1.0
  F  F26  1  0.810  0.583  0.480  1.0
  F  F27  1  0.024  0.563  0.202  1.0
  F  F28  1  0.976  0.437  0.798  1.0
  F  F29  1  0.190  0.417  0.520  1.0
  F  F30  1  0.524  0.437  0.298  1.0
  F  F31  1  0.878  0.295  0.044  1.0
  F  F32  1  0.310  0.417  0.020  1.0
  F  F33  1  0.312  0.010  0.421  1.0
  F  F34  1  0.013  0.222  0.342  1.0
  F  F35  1  0.622  0.295  0.544  1.0
  F  F36  1  0.188  0.010  0.921  1.0
  F  F37  1  0.487  0.222  0.842  1.0
  F  F38  1  0.139  0.077  0.650  1.0
  F  F39  1  0.361  0.077  0.150  1.0
[/CIF]
.
The structure described by Li3MnF6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one F(2), one F(3), and one F(6) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one F(2), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), and one Mn(1) atom to form distorted corner-sharing FLi3Mn trigonal pyramids. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Li(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to two equivalent Li(3) and one Mn(2) atom. In the sixth F site, F(6) is bonded to one Li(2), two equivalent Li(3), and one Mn(2) atom to form distorted corner-sharing FLi3Mn trigonal pyramids. is represented by the CIF card [CIF]
data_Li3MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   8.713
_cell_length_c   9.807
_cell_angle_alpha   80.069
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.147
_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  0.010  0.876  0.820  1.0
  Li  Li1  1  0.490  0.876  0.320  1.0
  Li  Li2  1  0.637  0.758  0.644  1.0
  Li  Li3  1  0.863  0.758  0.144  1.0
  Li  Li4  1  0.083  0.575  0.637  1.0
  Li  Li5  1  0.417  0.575  0.137  1.0
  Li  Li6  1  0.583  0.425  0.863  1.0
  Li  Li7  1  0.917  0.425  0.363  1.0
  Li  Li8  1  0.137  0.242  0.856  1.0
  Li  Li9  1  0.363  0.242  0.356  1.0
  Li  Li10  1  0.510  0.124  0.680  1.0
  Li  Li11  1  0.990  0.124  0.180  1.0
  Mn  Mn12  1  0.000  0.000  0.500  1.0
  Mn  Mn13  1  0.500  0.000  0.000  1.0
  Mn  Mn14  1  0.500  0.500  0.500  1.0
  Mn  Mn15  1  0.000  0.500  0.000  1.0
  F  F16  1  0.639  0.923  0.850  1.0
  F  F17  1  0.861  0.923  0.350  1.0
  F  F18  1  0.513  0.778  0.158  1.0
  F  F19  1  0.812  0.990  0.079  1.0
  F  F20  1  0.378  0.705  0.456  1.0
  F  F21  1  0.987  0.778  0.658  1.0
  F  F22  1  0.688  0.990  0.579  1.0
  F  F23  1  0.690  0.583  0.980  1.0
  F  F24  1  0.122  0.705  0.956  1.0
  F  F25  1  0.476  0.563  0.702  1.0
  F  F26  1  0.810  0.583  0.480  1.0
  F  F27  1  0.024  0.563  0.202  1.0
  F  F28  1  0.976  0.437  0.798  1.0
  F  F29  1  0.190  0.417  0.520  1.0
  F  F30  1  0.524  0.437  0.298  1.0
  F  F31  1  0.878  0.295  0.044  1.0
  F  F32  1  0.310  0.417  0.020  1.0
  F  F33  1  0.312  0.010  0.421  1.0
  F  F34  1  0.013  0.222  0.342  1.0
  F  F35  1  0.622  0.295  0.544  1.0
  F  F36  1  0.188  0.010  0.921  1.0
  F  F37  1  0.487  0.222  0.842  1.0
  F  F38  1  0.139  0.077  0.650  1.0
  F  F39  1  0.361  0.077  0.150  1.0
[/CIF]
.