The compound described by Li3MnF5 crystallizes in the orthorhombic P2_12_12_1 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(1), one F(3), one F(4), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), one F(4), and one F(5) atom. In the third Li site, Li(3) is bonded to one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form distorted LiF5 trigonal bipyramids that share corners with six equivalent Mn(1)F7 pentagonal bipyramids and corners with two equivalent Li(3)F5 trigonal bipyramids. Mn(1) is bonded to one F(2), one F(4), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share corners with six equivalent Li(3)F5 trigonal bipyramids and edges with two equivalent Mn(1)F7 pentagonal bipyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with two equivalent F(1)Li2Mn2 trigonal pyramids and corners with four equivalent F(2)Li3Mn trigonal pyramids. In the second F site, F(2) is bonded to one Li(3), two equivalent Li(1), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share corners with two equivalent F(2)Li3Mn trigonal pyramids and corners with four equivalent F(1)Li2Mn2 trigonal pyramids. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(3), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li3MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   6.033
_cell_length_c   10.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.372
_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  0.758  0.170  0.006  1.0
  Li  Li1  1  0.010  0.542  0.230  1.0
  Li  Li2  1  0.562  0.870  0.268  1.0
  Li  Li3  1  0.438  0.370  0.232  1.0
  Li  Li4  1  0.990  0.042  0.270  1.0
  Li  Li5  1  0.242  0.670  0.494  1.0
  Li  Li6  1  0.742  0.830  0.506  1.0
  Li  Li7  1  0.490  0.458  0.730  1.0
  Li  Li8  1  0.938  0.130  0.768  1.0
  Li  Li9  1  0.062  0.630  0.732  1.0
  Li  Li10  1  0.510  0.958  0.770  1.0
  Li  Li11  1  0.258  0.330  0.994  1.0
  Mn  Mn12  1  0.196  0.848  0.039  1.0
  Mn  Mn13  1  0.804  0.348  0.461  1.0
  Mn  Mn14  1  0.304  0.152  0.539  1.0
  Mn  Mn15  1  0.696  0.652  0.961  1.0
  F  F16  1  0.507  0.978  0.955  1.0
  F  F17  1  0.559  0.402  0.070  1.0
  F  F18  1  0.834  0.893  0.120  1.0
  F  F19  1  0.227  0.144  0.166  1.0
  F  F20  1  0.305  0.696  0.205  1.0
  F  F21  1  0.695  0.196  0.295  1.0
  F  F22  1  0.773  0.644  0.334  1.0
  F  F23  1  0.166  0.393  0.380  1.0
  F  F24  1  0.441  0.902  0.430  1.0
  F  F25  1  0.493  0.478  0.545  1.0
  F  F26  1  0.993  0.022  0.455  1.0
  F  F27  1  0.941  0.598  0.570  1.0
  F  F28  1  0.666  0.107  0.620  1.0
  F  F29  1  0.273  0.856  0.666  1.0
  F  F30  1  0.195  0.304  0.705  1.0
  F  F31  1  0.805  0.804  0.795  1.0
  F  F32  1  0.727  0.356  0.834  1.0
  F  F33  1  0.334  0.607  0.880  1.0
  F  F34  1  0.059  0.098  0.930  1.0
  F  F35  1  0.007  0.522  0.045  1.0
[/CIF]
.
The compound described by Li3MnF5 crystallizes in the orthorhombic P2_12_12_1 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(1), one F(3), one F(4), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), one F(4), and one F(5) atom. In the third Li site, Li(3) is bonded to one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form distorted LiF5 trigonal bipyramids that share corners with six equivalent Mn(1)F7 pentagonal bipyramids and corners with two equivalent Li(3)F5 trigonal bipyramids. Mn(1) is bonded to one F(2), one F(4), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share corners with six equivalent Li(3)F5 trigonal bipyramids and edges with two equivalent Mn(1)F7 pentagonal bipyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with two equivalent F(1)Li2Mn2 trigonal pyramids and corners with four equivalent F(2)Li3Mn trigonal pyramids. In the second F site, F(2) is bonded to one Li(3), two equivalent Li(1), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share corners with two equivalent F(2)Li3Mn trigonal pyramids and corners with four equivalent F(1)Li2Mn2 trigonal pyramids. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(3), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li3MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   6.033
_cell_length_c   10.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.372
_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  0.758  0.170  0.006  1.0
  Li  Li1  1  0.010  0.542  0.230  1.0
  Li  Li2  1  0.562  0.870  0.268  1.0
  Li  Li3  1  0.438  0.370  0.232  1.0
  Li  Li4  1  0.990  0.042  0.270  1.0
  Li  Li5  1  0.242  0.670  0.494  1.0
  Li  Li6  1  0.742  0.830  0.506  1.0
  Li  Li7  1  0.490  0.458  0.730  1.0
  Li  Li8  1  0.938  0.130  0.768  1.0
  Li  Li9  1  0.062  0.630  0.732  1.0
  Li  Li10  1  0.510  0.958  0.770  1.0
  Li  Li11  1  0.258  0.330  0.994  1.0
  Mn  Mn12  1  0.196  0.848  0.039  1.0
  Mn  Mn13  1  0.804  0.348  0.461  1.0
  Mn  Mn14  1  0.304  0.152  0.539  1.0
  Mn  Mn15  1  0.696  0.652  0.961  1.0
  F  F16  1  0.507  0.978  0.955  1.0
  F  F17  1  0.559  0.402  0.070  1.0
  F  F18  1  0.834  0.893  0.120  1.0
  F  F19  1  0.227  0.144  0.166  1.0
  F  F20  1  0.305  0.696  0.205  1.0
  F  F21  1  0.695  0.196  0.295  1.0
  F  F22  1  0.773  0.644  0.334  1.0
  F  F23  1  0.166  0.393  0.380  1.0
  F  F24  1  0.441  0.902  0.430  1.0
  F  F25  1  0.493  0.478  0.545  1.0
  F  F26  1  0.993  0.022  0.455  1.0
  F  F27  1  0.941  0.598  0.570  1.0
  F  F28  1  0.666  0.107  0.620  1.0
  F  F29  1  0.273  0.856  0.666  1.0
  F  F30  1  0.195  0.304  0.705  1.0
  F  F31  1  0.805  0.804  0.795  1.0
  F  F32  1  0.727  0.356  0.834  1.0
  F  F33  1  0.334  0.607  0.880  1.0
  F  F34  1  0.059  0.098  0.930  1.0
  F  F35  1  0.007  0.522  0.045  1.0
[/CIF]
.