The crystal structure described by LiMn2F5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal pyramidal geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one F(5), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(3), three equivalent F(4), and three equivalent F(5) atoms. 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(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Mn(2) atoms. In the fifth F site, F(5) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.951
_cell_length_b   6.505
_cell_length_c   9.130
_cell_angle_alpha   83.705
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.329
_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  0.111  0.983  0.197  1.0
  Li  Li1  1  0.389  0.483  0.197  1.0
  Li  Li2  1  0.611  0.517  0.803  1.0
  Li  Li3  1  0.889  0.017  0.803  1.0
  Mn  Mn4  1  0.640  0.975  0.145  1.0
  Mn  Mn5  1  0.860  0.475  0.145  1.0
  Mn  Mn6  1  0.631  0.247  0.474  1.0
  Mn  Mn7  1  0.131  0.253  0.526  1.0
  Mn  Mn8  1  0.869  0.747  0.474  1.0
  Mn  Mn9  1  0.369  0.753  0.526  1.0
  Mn  Mn10  1  0.140  0.525  0.855  1.0
  Mn  Mn11  1  0.360  0.025  0.855  1.0
  F  F12  1  0.339  0.989  0.091  1.0
  F  F13  1  0.900  0.152  0.136  1.0
  F  F14  1  0.161  0.489  0.091  1.0
  F  F15  1  0.600  0.652  0.136  1.0
  F  F16  1  0.568  0.260  0.249  1.0
  F  F17  1  0.932  0.760  0.249  1.0
  F  F18  1  0.335  0.476  0.414  1.0
  F  F19  1  0.905  0.380  0.392  1.0
  F  F20  1  0.165  0.976  0.414  1.0
  F  F21  1  0.595  0.880  0.392  1.0
  F  F22  1  0.405  0.120  0.608  1.0
  F  F23  1  0.835  0.024  0.586  1.0
  F  F24  1  0.095  0.620  0.608  1.0
  F  F25  1  0.665  0.524  0.586  1.0
  F  F26  1  0.068  0.240  0.751  1.0
  F  F27  1  0.432  0.740  0.751  1.0
  F  F28  1  0.400  0.348  0.864  1.0
  F  F29  1  0.839  0.511  0.909  1.0
  F  F30  1  0.100  0.848  0.864  1.0
  F  F31  1  0.661  0.011  0.909  1.0
[/CIF]
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The crystal structure described by LiMn2F5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal pyramidal geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one F(5), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(3), three equivalent F(4), and three equivalent F(5) atoms. 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(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Mn(2) atoms. In the fifth F site, F(5) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.951
_cell_length_b   6.505
_cell_length_c   9.130
_cell_angle_alpha   83.705
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.329
_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  0.111  0.983  0.197  1.0
  Li  Li1  1  0.389  0.483  0.197  1.0
  Li  Li2  1  0.611  0.517  0.803  1.0
  Li  Li3  1  0.889  0.017  0.803  1.0
  Mn  Mn4  1  0.640  0.975  0.145  1.0
  Mn  Mn5  1  0.860  0.475  0.145  1.0
  Mn  Mn6  1  0.631  0.247  0.474  1.0
  Mn  Mn7  1  0.131  0.253  0.526  1.0
  Mn  Mn8  1  0.869  0.747  0.474  1.0
  Mn  Mn9  1  0.369  0.753  0.526  1.0
  Mn  Mn10  1  0.140  0.525  0.855  1.0
  Mn  Mn11  1  0.360  0.025  0.855  1.0
  F  F12  1  0.339  0.989  0.091  1.0
  F  F13  1  0.900  0.152  0.136  1.0
  F  F14  1  0.161  0.489  0.091  1.0
  F  F15  1  0.600  0.652  0.136  1.0
  F  F16  1  0.568  0.260  0.249  1.0
  F  F17  1  0.932  0.760  0.249  1.0
  F  F18  1  0.335  0.476  0.414  1.0
  F  F19  1  0.905  0.380  0.392  1.0
  F  F20  1  0.165  0.976  0.414  1.0
  F  F21  1  0.595  0.880  0.392  1.0
  F  F22  1  0.405  0.120  0.608  1.0
  F  F23  1  0.835  0.024  0.586  1.0
  F  F24  1  0.095  0.620  0.608  1.0
  F  F25  1  0.665  0.524  0.586  1.0
  F  F26  1  0.068  0.240  0.751  1.0
  F  F27  1  0.432  0.740  0.751  1.0
  F  F28  1  0.400  0.348  0.864  1.0
  F  F29  1  0.839  0.511  0.909  1.0
  F  F30  1  0.100  0.848  0.864  1.0
  F  F31  1  0.661  0.011  0.909  1.0
[/CIF]
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