The material described by LiMn2F5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), one F(5), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, corners with two equivalent Mn(2)F6 octahedra, and corners with three equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(7), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(3)F6 octahedra, and corners with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are four 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), one F(6), and one F(7) atom to form MnF6 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Mn(3)F6 octahedra,  an edgeedge with one Mn(4)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form distorted MnF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Mn(3)F6 octahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(4)F6 octahedra. In the third Mn site, Mn(3) is bonded to one F(3), one F(5), one F(6), one F(8), and two equivalent F(10) atoms to form MnF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra,  an edgeedge with one Mn(1)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(4)F6 octahedra. In the fourth Mn site, Mn(4) is bonded to one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Mn(1)F6 octahedra,  an edgeedge with one Mn(3)F6 octahedra,  an edgeedge with one Mn(4)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(4) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Mn(3) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   8.005
_cell_length_c   8.957
_cell_angle_alpha   106.350
_cell_angle_beta   91.061
_cell_angle_gamma   101.273
_symmetry_Int_Tables_number   1
_cell_volume   437.499
_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  0.786  0.212  0.446  1.0
  Li  Li1  1  0.318  0.215  0.159  1.0
  Li  Li2  1  0.682  0.785  0.841  1.0
  Li  Li3  1  0.214  0.788  0.554  1.0
  Mn  Mn4  1  0.542  0.186  0.794  1.0
  Mn  Mn5  1  0.033  0.152  0.787  1.0
  Mn  Mn6  1  0.325  0.380  0.567  1.0
  Mn  Mn7  1  0.860  0.387  0.120  1.0
  Mn  Mn8  1  0.140  0.613  0.880  1.0
  Mn  Mn9  1  0.675  0.620  0.433  1.0
  Mn  Mn10  1  0.967  0.848  0.213  1.0
  Mn  Mn11  1  0.458  0.814  0.206  1.0
  F  F12  1  0.734  0.995  0.768  1.0
  F  F13  1  0.256  0.995  0.732  1.0
  F  F14  1  0.744  0.005  0.268  1.0
  F  F15  1  0.266  0.005  0.232  1.0
  F  F16  1  0.552  0.218  0.572  1.0
  F  F17  1  0.866  0.380  0.869  1.0
  F  F18  1  0.031  0.206  0.564  1.0
  F  F19  1  0.309  0.376  0.816  1.0
  F  F20  1  0.555  0.232  0.036  1.0
  F  F21  1  0.833  0.401  0.352  1.0
  F  F22  1  0.066  0.213  0.041  1.0
  F  F23  1  0.391  0.402  0.349  1.0
  F  F24  1  0.609  0.598  0.651  1.0
  F  F25  1  0.934  0.787  0.959  1.0
  F  F26  1  0.167  0.599  0.648  1.0
  F  F27  1  0.445  0.768  0.964  1.0
  F  F28  1  0.691  0.624  0.184  1.0
  F  F29  1  0.969  0.794  0.436  1.0
  F  F30  1  0.134  0.620  0.131  1.0
  F  F31  1  0.448  0.782  0.428  1.0
[/CIF]
.
The material described by LiMn2F5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), one F(5), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra, corners with two equivalent Mn(2)F6 octahedra, and corners with three equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(7), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(3)F6 octahedra, and corners with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are four 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), one F(6), and one F(7) atom to form MnF6 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Mn(3)F6 octahedra,  an edgeedge with one Mn(4)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form distorted MnF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Mn(3)F6 octahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(4)F6 octahedra. In the third Mn site, Mn(3) is bonded to one F(3), one F(5), one F(6), one F(8), and two equivalent F(10) atoms to form MnF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra,  an edgeedge with one Mn(1)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(4)F6 octahedra. In the fourth Mn site, Mn(4) is bonded to one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Mn(1)F6 octahedra,  an edgeedge with one Mn(3)F6 octahedra,  an edgeedge with one Mn(4)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(4) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Mn(3) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   8.005
_cell_length_c   8.957
_cell_angle_alpha   106.350
_cell_angle_beta   91.061
_cell_angle_gamma   101.273
_symmetry_Int_Tables_number   1
_cell_volume   437.499
_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  0.786  0.212  0.446  1.0
  Li  Li1  1  0.318  0.215  0.159  1.0
  Li  Li2  1  0.682  0.785  0.841  1.0
  Li  Li3  1  0.214  0.788  0.554  1.0
  Mn  Mn4  1  0.542  0.186  0.794  1.0
  Mn  Mn5  1  0.033  0.152  0.787  1.0
  Mn  Mn6  1  0.325  0.380  0.567  1.0
  Mn  Mn7  1  0.860  0.387  0.120  1.0
  Mn  Mn8  1  0.140  0.613  0.880  1.0
  Mn  Mn9  1  0.675  0.620  0.433  1.0
  Mn  Mn10  1  0.967  0.848  0.213  1.0
  Mn  Mn11  1  0.458  0.814  0.206  1.0
  F  F12  1  0.734  0.995  0.768  1.0
  F  F13  1  0.256  0.995  0.732  1.0
  F  F14  1  0.744  0.005  0.268  1.0
  F  F15  1  0.266  0.005  0.232  1.0
  F  F16  1  0.552  0.218  0.572  1.0
  F  F17  1  0.866  0.380  0.869  1.0
  F  F18  1  0.031  0.206  0.564  1.0
  F  F19  1  0.309  0.376  0.816  1.0
  F  F20  1  0.555  0.232  0.036  1.0
  F  F21  1  0.833  0.401  0.352  1.0
  F  F22  1  0.066  0.213  0.041  1.0
  F  F23  1  0.391  0.402  0.349  1.0
  F  F24  1  0.609  0.598  0.651  1.0
  F  F25  1  0.934  0.787  0.959  1.0
  F  F26  1  0.167  0.599  0.648  1.0
  F  F27  1  0.445  0.768  0.964  1.0
  F  F28  1  0.691  0.624  0.184  1.0
  F  F29  1  0.969  0.794  0.436  1.0
  F  F30  1  0.134  0.620  0.131  1.0
  F  F31  1  0.448  0.782  0.428  1.0
[/CIF]
.