The structure described by Li3MnF5 crystallizes in the tetragonal P4_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(2), one F(3), one F(4), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of distorted edge and corner-sharing LiF5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one F(1), one F(2), one F(4), and two equivalent F(5) atoms to form a mixture of distorted edge and corner-sharing LiF5 square pyramids. Mn(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Mn(1) atom to form FLi4Mn trigonal bipyramids that share corners with two equivalent F(1)Li4Mn trigonal bipyramids, corners with four equivalent F(4)Li3Mn2 trigonal bipyramids, and  an edgeedge with one F(4)Li3Mn2 trigonal bipyramid. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Mn(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(1) atoms to form distorted FLi3Mn2 trigonal bipyramids that share corners with two equivalent F(4)Li3Mn2 trigonal bipyramids, corners with four equivalent F(1)Li4Mn trigonal bipyramids, and  an edgeedge with one F(1)Li4Mn trigonal bipyramid. In the fifth F site, F(5) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li3MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.788
_cell_length_b   5.788
_cell_length_c   11.248
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.866
_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  0.024  0.167  0.320  1.0
  Li  Li1  1  0.083  0.329  0.846  1.0
  Li  Li2  1  0.219  0.443  0.616  1.0
  Li  Li3  1  0.167  0.976  0.070  1.0
  Li  Li4  1  0.329  0.917  0.596  1.0
  Li  Li5  1  0.443  0.781  0.366  1.0
  Li  Li6  1  0.557  0.219  0.866  1.0
  Li  Li7  1  0.671  0.083  0.096  1.0
  Li  Li8  1  0.833  0.024  0.570  1.0
  Li  Li9  1  0.781  0.557  0.116  1.0
  Li  Li10  1  0.917  0.671  0.346  1.0
  Li  Li11  1  0.976  0.833  0.820  1.0
  Mn  Mn12  1  0.283  0.487  0.142  1.0
  Mn  Mn13  1  0.487  0.717  0.892  1.0
  Mn  Mn14  1  0.513  0.283  0.392  1.0
  Mn  Mn15  1  0.717  0.513  0.642  1.0
  F  F16  1  0.971  0.249  0.145  1.0
  F  F17  1  0.013  0.768  0.174  1.0
  F  F18  1  0.152  0.580  0.966  1.0
  F  F19  1  0.232  0.013  0.424  1.0
  F  F20  1  0.205  0.491  0.331  1.0
  F  F21  1  0.249  0.029  0.895  1.0
  F  F22  1  0.420  0.152  0.216  1.0
  F  F23  1  0.369  0.442  0.771  1.0
  F  F24  1  0.558  0.369  0.021  1.0
  F  F25  1  0.491  0.795  0.081  1.0
  F  F26  1  0.509  0.205  0.581  1.0
  F  F27  1  0.442  0.631  0.521  1.0
  F  F28  1  0.631  0.558  0.271  1.0
  F  F29  1  0.580  0.848  0.716  1.0
  F  F30  1  0.751  0.971  0.395  1.0
  F  F31  1  0.795  0.509  0.831  1.0
  F  F32  1  0.768  0.987  0.924  1.0
  F  F33  1  0.848  0.420  0.466  1.0
  F  F34  1  0.987  0.232  0.674  1.0
  F  F35  1  0.029  0.751  0.645  1.0
[/CIF]
.
The structure described by Li3MnF5 crystallizes in the tetragonal P4_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(2), one F(3), one F(4), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of distorted edge and corner-sharing LiF5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one F(1), one F(2), one F(4), and two equivalent F(5) atoms to form a mixture of distorted edge and corner-sharing LiF5 square pyramids. Mn(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Mn(1) atom to form FLi4Mn trigonal bipyramids that share corners with two equivalent F(1)Li4Mn trigonal bipyramids, corners with four equivalent F(4)Li3Mn2 trigonal bipyramids, and  an edgeedge with one F(4)Li3Mn2 trigonal bipyramid. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Mn(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(1) atoms to form distorted FLi3Mn2 trigonal bipyramids that share corners with two equivalent F(4)Li3Mn2 trigonal bipyramids, corners with four equivalent F(1)Li4Mn trigonal bipyramids, and  an edgeedge with one F(1)Li4Mn trigonal bipyramid. In the fifth F site, F(5) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li3MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.788
_cell_length_b   5.788
_cell_length_c   11.248
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.866
_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  0.024  0.167  0.320  1.0
  Li  Li1  1  0.083  0.329  0.846  1.0
  Li  Li2  1  0.219  0.443  0.616  1.0
  Li  Li3  1  0.167  0.976  0.070  1.0
  Li  Li4  1  0.329  0.917  0.596  1.0
  Li  Li5  1  0.443  0.781  0.366  1.0
  Li  Li6  1  0.557  0.219  0.866  1.0
  Li  Li7  1  0.671  0.083  0.096  1.0
  Li  Li8  1  0.833  0.024  0.570  1.0
  Li  Li9  1  0.781  0.557  0.116  1.0
  Li  Li10  1  0.917  0.671  0.346  1.0
  Li  Li11  1  0.976  0.833  0.820  1.0
  Mn  Mn12  1  0.283  0.487  0.142  1.0
  Mn  Mn13  1  0.487  0.717  0.892  1.0
  Mn  Mn14  1  0.513  0.283  0.392  1.0
  Mn  Mn15  1  0.717  0.513  0.642  1.0
  F  F16  1  0.971  0.249  0.145  1.0
  F  F17  1  0.013  0.768  0.174  1.0
  F  F18  1  0.152  0.580  0.966  1.0
  F  F19  1  0.232  0.013  0.424  1.0
  F  F20  1  0.205  0.491  0.331  1.0
  F  F21  1  0.249  0.029  0.895  1.0
  F  F22  1  0.420  0.152  0.216  1.0
  F  F23  1  0.369  0.442  0.771  1.0
  F  F24  1  0.558  0.369  0.021  1.0
  F  F25  1  0.491  0.795  0.081  1.0
  F  F26  1  0.509  0.205  0.581  1.0
  F  F27  1  0.442  0.631  0.521  1.0
  F  F28  1  0.631  0.558  0.271  1.0
  F  F29  1  0.580  0.848  0.716  1.0
  F  F30  1  0.751  0.971  0.395  1.0
  F  F31  1  0.795  0.509  0.831  1.0
  F  F32  1  0.768  0.987  0.924  1.0
  F  F33  1  0.848  0.420  0.466  1.0
  F  F34  1  0.987  0.232  0.674  1.0
  F  F35  1  0.029  0.751  0.645  1.0
[/CIF]
.