The material described by LiMn2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with four equivalent Mn(2)F5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms. In the second Mn site, Mn(2) is bonded to one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form distorted MnF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra and  an edgeedge with one Mn(2)F5 trigonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. 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 in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   8.064
_cell_length_c   10.106
_cell_angle_alpha   63.000
_cell_angle_beta   63.000
_cell_angle_gamma   49.046
_symmetry_Int_Tables_number   1
_cell_volume   430.161
_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  0.698  0.924  0.319  1.0
  Li  Li1  1  0.076  0.302  0.181  1.0
  Li  Li2  1  0.924  0.698  0.819  1.0
  Li  Li3  1  0.302  0.076  0.681  1.0
  Mn  Mn4  1  0.779  0.506  0.649  1.0
  Mn  Mn5  1  0.172  0.727  0.986  1.0
  Mn  Mn6  1  0.273  0.828  0.514  1.0
  Mn  Mn7  1  0.506  0.779  0.149  1.0
  Mn  Mn8  1  0.494  0.221  0.851  1.0
  Mn  Mn9  1  0.727  0.172  0.486  1.0
  Mn  Mn10  1  0.828  0.273  0.014  1.0
  Mn  Mn11  1  0.221  0.494  0.351  1.0
  F  F12  1  0.899  0.951  0.138  1.0
  F  F13  1  0.120  0.279  0.539  1.0
  F  F14  1  0.439  0.798  0.643  1.0
  F  F15  1  0.154  0.472  0.184  1.0
  F  F16  1  0.528  0.846  0.316  1.0
  F  F17  1  0.613  0.354  0.898  1.0
  F  F18  1  0.646  0.387  0.602  1.0
  F  F19  1  0.049  0.101  0.362  1.0
  F  F20  1  0.279  0.120  0.039  1.0
  F  F21  1  0.202  0.561  0.857  1.0
  F  F22  1  0.798  0.439  0.143  1.0
  F  F23  1  0.721  0.880  0.961  1.0
  F  F24  1  0.951  0.899  0.638  1.0
  F  F25  1  0.354  0.613  0.398  1.0
  F  F26  1  0.387  0.646  0.102  1.0
  F  F27  1  0.472  0.154  0.684  1.0
  F  F28  1  0.846  0.528  0.816  1.0
  F  F29  1  0.561  0.202  0.357  1.0
  F  F30  1  0.880  0.721  0.461  1.0
  F  F31  1  0.101  0.049  0.862  1.0
[/CIF]
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The material described by LiMn2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with four equivalent Mn(2)F5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms. In the second Mn site, Mn(2) is bonded to one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form distorted MnF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra and  an edgeedge with one Mn(2)F5 trigonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. 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 in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   8.064
_cell_length_c   10.106
_cell_angle_alpha   63.000
_cell_angle_beta   63.000
_cell_angle_gamma   49.046
_symmetry_Int_Tables_number   1
_cell_volume   430.161
_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  0.698  0.924  0.319  1.0
  Li  Li1  1  0.076  0.302  0.181  1.0
  Li  Li2  1  0.924  0.698  0.819  1.0
  Li  Li3  1  0.302  0.076  0.681  1.0
  Mn  Mn4  1  0.779  0.506  0.649  1.0
  Mn  Mn5  1  0.172  0.727  0.986  1.0
  Mn  Mn6  1  0.273  0.828  0.514  1.0
  Mn  Mn7  1  0.506  0.779  0.149  1.0
  Mn  Mn8  1  0.494  0.221  0.851  1.0
  Mn  Mn9  1  0.727  0.172  0.486  1.0
  Mn  Mn10  1  0.828  0.273  0.014  1.0
  Mn  Mn11  1  0.221  0.494  0.351  1.0
  F  F12  1  0.899  0.951  0.138  1.0
  F  F13  1  0.120  0.279  0.539  1.0
  F  F14  1  0.439  0.798  0.643  1.0
  F  F15  1  0.154  0.472  0.184  1.0
  F  F16  1  0.528  0.846  0.316  1.0
  F  F17  1  0.613  0.354  0.898  1.0
  F  F18  1  0.646  0.387  0.602  1.0
  F  F19  1  0.049  0.101  0.362  1.0
  F  F20  1  0.279  0.120  0.039  1.0
  F  F21  1  0.202  0.561  0.857  1.0
  F  F22  1  0.798  0.439  0.143  1.0
  F  F23  1  0.721  0.880  0.961  1.0
  F  F24  1  0.951  0.899  0.638  1.0
  F  F25  1  0.354  0.613  0.398  1.0
  F  F26  1  0.387  0.646  0.102  1.0
  F  F27  1  0.472  0.154  0.684  1.0
  F  F28  1  0.846  0.528  0.816  1.0
  F  F29  1  0.561  0.202  0.357  1.0
  F  F30  1  0.880  0.721  0.461  1.0
  F  F31  1  0.101  0.049  0.862  1.0
[/CIF]
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