The material structure described by Li2MnF5 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(2), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one F(1), one F(3), one F(6), and one F(7) atom. In the third Li site, Li(3) is bonded to one F(1), one F(10), one F(2), one F(7), and one F(9) atom to form LiF5 trigonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra,  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Mn(1)F5 trigonal bipyramid,  an edgeedge with one Li(4)F5 square pyramid, and  an edgeedge with one Mn(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-55°. In the fourth Li site, Li(4) is bonded to one F(10), one F(2), one F(5), one F(8), and one F(9) atom to form distorted LiF5 square pyramids that share  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Li(3)F5 trigonal bipyramid, corners with two equivalent Mn(1)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F6 octahedra, and  an edgeedge with one Li(3)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(9) atom to form MnF5 trigonal bipyramids that share  a cornercorner with one Mn(2)F6 octahedra, corners with two equivalent Li(4)F5 square pyramids,  a cornercorner with one Li(3)F5 trigonal bipyramid, and  an edgeedge with one Li(3)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the second Mn site, Mn(2) is bonded to one F(10), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form distorted MnF6 octahedra that share  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Mn(1)F5 trigonal bipyramid, corners with two equivalent Li(3)F5 trigonal bipyramids, and  an edgeedge with one Li(4)F5 square pyramid. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one Mn(1) atom. In the second F site, F(2) is bonded in a see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(4), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(4) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Mn(1) atom. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Li(3), one Li(4), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.447
_cell_length_b   5.728
_cell_length_c   6.140
_cell_angle_alpha   84.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.467
_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  0.326  0.133  0.006  1.0
  Li  Li1  1  0.855  0.338  0.182  1.0
  Li  Li2  1  0.634  0.505  0.334  1.0
  Li  Li3  1  0.587  0.971  0.327  1.0
  Li  Li4  1  0.087  0.029  0.673  1.0
  Li  Li5  1  0.134  0.495  0.666  1.0
  Li  Li6  1  0.355  0.662  0.818  1.0
  Li  Li7  1  0.826  0.867  0.994  1.0
  Mn  Mn8  1  0.126  0.449  0.140  1.0
  Mn  Mn9  1  0.868  0.847  0.504  1.0
  Mn  Mn10  1  0.368  0.153  0.496  1.0
  Mn  Mn11  1  0.626  0.551  0.860  1.0
  F  F12  1  0.188  0.681  0.924  1.0
  F  F13  1  0.641  0.782  0.096  1.0
  F  F14  1  0.977  0.534  0.049  1.0
  F  F15  1  0.282  0.368  0.212  1.0
  F  F16  1  0.415  0.972  0.266  1.0
  F  F17  1  0.902  0.025  0.203  1.0
  F  F18  1  0.807  0.585  0.359  1.0
  F  F19  1  0.231  0.979  0.516  1.0
  F  F20  1  0.575  0.683  0.583  1.0
  F  F21  1  0.022  0.732  0.532  1.0
  F  F22  1  0.522  0.268  0.468  1.0
  F  F23  1  0.075  0.317  0.417  1.0
  F  F24  1  0.731  0.021  0.484  1.0
  F  F25  1  0.307  0.415  0.641  1.0
  F  F26  1  0.402  0.975  0.797  1.0
  F  F27  1  0.915  0.028  0.734  1.0
  F  F28  1  0.782  0.632  0.788  1.0
  F  F29  1  0.477  0.466  0.951  1.0
  F  F30  1  0.141  0.218  0.904  1.0
  F  F31  1  0.688  0.319  0.076  1.0
[/CIF]
.
The material structure described by Li2MnF5 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(2), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one F(1), one F(3), one F(6), and one F(7) atom. In the third Li site, Li(3) is bonded to one F(1), one F(10), one F(2), one F(7), and one F(9) atom to form LiF5 trigonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra,  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Mn(1)F5 trigonal bipyramid,  an edgeedge with one Li(4)F5 square pyramid, and  an edgeedge with one Mn(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-55°. In the fourth Li site, Li(4) is bonded to one F(10), one F(2), one F(5), one F(8), and one F(9) atom to form distorted LiF5 square pyramids that share  a cornercorner with one Mn(2)F6 octahedra,  a cornercorner with one Li(3)F5 trigonal bipyramid, corners with two equivalent Mn(1)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F6 octahedra, and  an edgeedge with one Li(3)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(9) atom to form MnF5 trigonal bipyramids that share  a cornercorner with one Mn(2)F6 octahedra, corners with two equivalent Li(4)F5 square pyramids,  a cornercorner with one Li(3)F5 trigonal bipyramid, and  an edgeedge with one Li(3)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the second Mn site, Mn(2) is bonded to one F(10), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form distorted MnF6 octahedra that share  a cornercorner with one Li(4)F5 square pyramid,  a cornercorner with one Mn(1)F5 trigonal bipyramid, corners with two equivalent Li(3)F5 trigonal bipyramids, and  an edgeedge with one Li(4)F5 square pyramid. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one Mn(1) atom. In the second F site, F(2) is bonded in a see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(4), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(4) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Mn(1) atom. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Li(3), one Li(4), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.447
_cell_length_b   5.728
_cell_length_c   6.140
_cell_angle_alpha   84.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.467
_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  0.326  0.133  0.006  1.0
  Li  Li1  1  0.855  0.338  0.182  1.0
  Li  Li2  1  0.634  0.505  0.334  1.0
  Li  Li3  1  0.587  0.971  0.327  1.0
  Li  Li4  1  0.087  0.029  0.673  1.0
  Li  Li5  1  0.134  0.495  0.666  1.0
  Li  Li6  1  0.355  0.662  0.818  1.0
  Li  Li7  1  0.826  0.867  0.994  1.0
  Mn  Mn8  1  0.126  0.449  0.140  1.0
  Mn  Mn9  1  0.868  0.847  0.504  1.0
  Mn  Mn10  1  0.368  0.153  0.496  1.0
  Mn  Mn11  1  0.626  0.551  0.860  1.0
  F  F12  1  0.188  0.681  0.924  1.0
  F  F13  1  0.641  0.782  0.096  1.0
  F  F14  1  0.977  0.534  0.049  1.0
  F  F15  1  0.282  0.368  0.212  1.0
  F  F16  1  0.415  0.972  0.266  1.0
  F  F17  1  0.902  0.025  0.203  1.0
  F  F18  1  0.807  0.585  0.359  1.0
  F  F19  1  0.231  0.979  0.516  1.0
  F  F20  1  0.575  0.683  0.583  1.0
  F  F21  1  0.022  0.732  0.532  1.0
  F  F22  1  0.522  0.268  0.468  1.0
  F  F23  1  0.075  0.317  0.417  1.0
  F  F24  1  0.731  0.021  0.484  1.0
  F  F25  1  0.307  0.415  0.641  1.0
  F  F26  1  0.402  0.975  0.797  1.0
  F  F27  1  0.915  0.028  0.734  1.0
  F  F28  1  0.782  0.632  0.788  1.0
  F  F29  1  0.477  0.466  0.951  1.0
  F  F30  1  0.141  0.218  0.904  1.0
  F  F31  1  0.688  0.319  0.076  1.0
[/CIF]
.