The material described by LiMn2F5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(2)F6 pentagonal pyramids, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-64°. 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 two equivalent F(5) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with two equivalent Mn(2)F6 pentagonal pyramids, edges with two equivalent Li(1)F6 octahedra,  an edgeedge with one Mn(2)F6 pentagonal pyramid, and  a faceface with one Mn(2)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-59°. In the second Mn site, Mn(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form distorted MnF6 pentagonal pyramids that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with two equivalent Mn(2)F6 pentagonal pyramids,  an edgeedge with one Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and  a faceface with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 tetrahedra that share corners with two equivalent F(1)LiMn3 tetrahedra,  a cornercorner with one F(3)Li2Mn2 trigonal pyramid,  a cornercorner with one F(5)LiMn3 trigonal pyramid, edges with two equivalent F(3)Li2Mn2 trigonal pyramids, and edges with two equivalent F(5)LiMn3 trigonal pyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form distorted FLi2Mn2 trigonal pyramids that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 trigonal pyramid, corners with two equivalent F(3)Li2Mn2 trigonal pyramids, edges with two equivalent F(1)LiMn3 tetrahedra, and edges with two equivalent F(5)LiMn3 trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(3)Li2Mn2 trigonal pyramid, corners with two equivalent F(5)LiMn3 trigonal pyramids, edges with two equivalent F(1)LiMn3 tetrahedra, and edges with two equivalent F(3)Li2Mn2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.224
_cell_length_b   7.494
_cell_length_c   9.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.767
_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  0.754  0.120  0.502  1.0
  Li  Li1  1  0.254  0.380  0.002  1.0
  Li  Li2  1  0.746  0.620  0.502  1.0
  Li  Li3  1  0.246  0.880  0.002  1.0
  Mn  Mn4  1  0.261  0.977  0.363  1.0
  Mn  Mn5  1  0.234  0.282  0.643  1.0
  Mn  Mn6  1  0.734  0.218  0.143  1.0
  Mn  Mn7  1  0.761  0.523  0.863  1.0
  Mn  Mn8  1  0.239  0.477  0.363  1.0
  Mn  Mn9  1  0.266  0.782  0.643  1.0
  Mn  Mn10  1  0.766  0.718  0.143  1.0
  Mn  Mn11  1  0.739  0.023  0.863  1.0
  F  F12  1  0.420  0.036  0.569  1.0
  F  F13  1  0.641  0.066  0.316  1.0
  F  F14  1  0.026  0.125  0.010  1.0
  F  F15  1  0.886  0.153  0.692  1.0
  F  F16  1  0.074  0.221  0.416  1.0
  F  F17  1  0.574  0.279  0.916  1.0
  F  F18  1  0.386  0.347  0.192  1.0
  F  F19  1  0.526  0.375  0.510  1.0
  F  F20  1  0.141  0.434  0.816  1.0
  F  F21  1  0.920  0.464  0.069  1.0
  F  F22  1  0.080  0.536  0.569  1.0
  F  F23  1  0.859  0.566  0.316  1.0
  F  F24  1  0.474  0.625  0.010  1.0
  F  F25  1  0.614  0.653  0.692  1.0
  F  F26  1  0.426  0.721  0.416  1.0
  F  F27  1  0.926  0.779  0.916  1.0
  F  F28  1  0.114  0.847  0.192  1.0
  F  F29  1  0.974  0.875  0.510  1.0
  F  F30  1  0.359  0.934  0.816  1.0
  F  F31  1  0.580  0.964  0.069  1.0
[/CIF]
.
The material described by LiMn2F5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(2)F6 pentagonal pyramids, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-64°. 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 two equivalent F(5) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with two equivalent Mn(2)F6 pentagonal pyramids, edges with two equivalent Li(1)F6 octahedra,  an edgeedge with one Mn(2)F6 pentagonal pyramid, and  a faceface with one Mn(2)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-59°. In the second Mn site, Mn(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form distorted MnF6 pentagonal pyramids that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with two equivalent Mn(2)F6 pentagonal pyramids,  an edgeedge with one Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and  a faceface with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 tetrahedra that share corners with two equivalent F(1)LiMn3 tetrahedra,  a cornercorner with one F(3)Li2Mn2 trigonal pyramid,  a cornercorner with one F(5)LiMn3 trigonal pyramid, edges with two equivalent F(3)Li2Mn2 trigonal pyramids, and edges with two equivalent F(5)LiMn3 trigonal pyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form distorted FLi2Mn2 trigonal pyramids that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 trigonal pyramid, corners with two equivalent F(3)Li2Mn2 trigonal pyramids, edges with two equivalent F(1)LiMn3 tetrahedra, and edges with two equivalent F(5)LiMn3 trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(3)Li2Mn2 trigonal pyramid, corners with two equivalent F(5)LiMn3 trigonal pyramids, edges with two equivalent F(1)LiMn3 tetrahedra, and edges with two equivalent F(3)Li2Mn2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.224
_cell_length_b   7.494
_cell_length_c   9.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.767
_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  0.754  0.120  0.502  1.0
  Li  Li1  1  0.254  0.380  0.002  1.0
  Li  Li2  1  0.746  0.620  0.502  1.0
  Li  Li3  1  0.246  0.880  0.002  1.0
  Mn  Mn4  1  0.261  0.977  0.363  1.0
  Mn  Mn5  1  0.234  0.282  0.643  1.0
  Mn  Mn6  1  0.734  0.218  0.143  1.0
  Mn  Mn7  1  0.761  0.523  0.863  1.0
  Mn  Mn8  1  0.239  0.477  0.363  1.0
  Mn  Mn9  1  0.266  0.782  0.643  1.0
  Mn  Mn10  1  0.766  0.718  0.143  1.0
  Mn  Mn11  1  0.739  0.023  0.863  1.0
  F  F12  1  0.420  0.036  0.569  1.0
  F  F13  1  0.641  0.066  0.316  1.0
  F  F14  1  0.026  0.125  0.010  1.0
  F  F15  1  0.886  0.153  0.692  1.0
  F  F16  1  0.074  0.221  0.416  1.0
  F  F17  1  0.574  0.279  0.916  1.0
  F  F18  1  0.386  0.347  0.192  1.0
  F  F19  1  0.526  0.375  0.510  1.0
  F  F20  1  0.141  0.434  0.816  1.0
  F  F21  1  0.920  0.464  0.069  1.0
  F  F22  1  0.080  0.536  0.569  1.0
  F  F23  1  0.859  0.566  0.316  1.0
  F  F24  1  0.474  0.625  0.010  1.0
  F  F25  1  0.614  0.653  0.692  1.0
  F  F26  1  0.426  0.721  0.416  1.0
  F  F27  1  0.926  0.779  0.916  1.0
  F  F28  1  0.114  0.847  0.192  1.0
  F  F29  1  0.974  0.875  0.510  1.0
  F  F30  1  0.359  0.934  0.816  1.0
  F  F31  1  0.580  0.964  0.069  1.0
[/CIF]
.