The material structure described by Li2MnF5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), two equivalent F(3), and three equivalent F(2) atoms. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with two equivalent F(1)Li2Mn2 trigonal pyramids, corners with two equivalent F(2)Li3Mn trigonal pyramids, and edges with four equivalent F(2)Li3Mn trigonal pyramids. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 trigonal pyramid, corners with three equivalent F(2)Li3Mn trigonal pyramids, edges with two equivalent F(1)Li2Mn2 trigonal pyramids, and edges with two equivalent F(2)Li3Mn trigonal pyramids. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.519
_cell_length_b   5.519
_cell_length_c   7.325
_cell_angle_alpha   70.240
_cell_angle_beta   70.240
_cell_angle_gamma   53.117
_symmetry_Int_Tables_number   1
_cell_volume   165.242
_cell_formula_units_Z   2
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  0.626  0.642  0.759  1.0
  Li  Li1  1  0.642  0.626  0.259  1.0
  Li  Li2  1  0.374  0.358  0.241  1.0
  Li  Li3  1  0.358  0.374  0.741  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.216  0.784  0.250  1.0
  F  F7  1  0.784  0.216  0.750  1.0
  F  F8  1  0.774  0.400  0.046  1.0
  F  F9  1  0.600  0.226  0.454  1.0
  F  F10  1  0.226  0.600  0.954  1.0
  F  F11  1  0.400  0.774  0.546  1.0
  F  F12  1  0.332  0.029  0.852  1.0
  F  F13  1  0.971  0.668  0.648  1.0
  F  F14  1  0.668  0.971  0.148  1.0
  F  F15  1  0.029  0.332  0.352  1.0
[/CIF]
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The material structure described by Li2MnF5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), two equivalent F(3), and three equivalent F(2) atoms. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form distorted FLi2Mn2 trigonal pyramids that share corners with two equivalent F(1)Li2Mn2 trigonal pyramids, corners with two equivalent F(2)Li3Mn trigonal pyramids, and edges with four equivalent F(2)Li3Mn trigonal pyramids. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share  a cornercorner with one F(1)Li2Mn2 trigonal pyramid, corners with three equivalent F(2)Li3Mn trigonal pyramids, edges with two equivalent F(1)Li2Mn2 trigonal pyramids, and edges with two equivalent F(2)Li3Mn trigonal pyramids. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.519
_cell_length_b   5.519
_cell_length_c   7.325
_cell_angle_alpha   70.240
_cell_angle_beta   70.240
_cell_angle_gamma   53.117
_symmetry_Int_Tables_number   1
_cell_volume   165.242
_cell_formula_units_Z   2
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  0.626  0.642  0.759  1.0
  Li  Li1  1  0.642  0.626  0.259  1.0
  Li  Li2  1  0.374  0.358  0.241  1.0
  Li  Li3  1  0.358  0.374  0.741  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.216  0.784  0.250  1.0
  F  F7  1  0.784  0.216  0.750  1.0
  F  F8  1  0.774  0.400  0.046  1.0
  F  F9  1  0.600  0.226  0.454  1.0
  F  F10  1  0.226  0.600  0.954  1.0
  F  F11  1  0.400  0.774  0.546  1.0
  F  F12  1  0.332  0.029  0.852  1.0
  F  F13  1  0.971  0.668  0.648  1.0
  F  F14  1  0.668  0.971  0.148  1.0
  F  F15  1  0.029  0.332  0.352  1.0
[/CIF]
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