The material described by LiMn2F5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra and edges with two equivalent Mn(1)F6 octahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(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 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 trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.742
_cell_length_b   8.122
_cell_length_c   8.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.918
_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  0.750  0.166  0.317  1.0
  Li  Li1  1  0.750  0.334  0.817  1.0
  Li  Li2  1  0.250  0.666  0.183  1.0
  Li  Li3  1  0.250  0.834  0.683  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.250  0.102  0.330  1.0
  Mn  Mn7  1  0.250  0.398  0.830  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.500  0.500  1.0
  Mn  Mn10  1  0.750  0.602  0.170  1.0
  Mn  Mn11  1  0.750  0.898  0.670  1.0
  F  F12  1  0.750  0.044  0.491  1.0
  F  F13  1  0.511  0.136  0.207  1.0
  F  F14  1  0.989  0.136  0.207  1.0
  F  F15  1  0.750  0.107  0.879  1.0
  F  F16  1  0.250  0.154  0.923  1.0
  F  F17  1  0.250  0.346  0.423  1.0
  F  F18  1  0.750  0.393  0.379  1.0
  F  F19  1  0.511  0.364  0.707  1.0
  F  F20  1  0.989  0.364  0.707  1.0
  F  F21  1  0.750  0.456  0.991  1.0
  F  F22  1  0.250  0.544  0.009  1.0
  F  F23  1  0.011  0.636  0.293  1.0
  F  F24  1  0.489  0.636  0.293  1.0
  F  F25  1  0.250  0.607  0.621  1.0
  F  F26  1  0.750  0.654  0.577  1.0
  F  F27  1  0.750  0.846  0.077  1.0
  F  F28  1  0.250  0.893  0.121  1.0
  F  F29  1  0.011  0.864  0.793  1.0
  F  F30  1  0.489  0.864  0.793  1.0
  F  F31  1  0.250  0.956  0.509  1.0
[/CIF]
.
The material described by LiMn2F5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra and edges with two equivalent Mn(1)F6 octahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(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 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 trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.742
_cell_length_b   8.122
_cell_length_c   8.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.918
_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  0.750  0.166  0.317  1.0
  Li  Li1  1  0.750  0.334  0.817  1.0
  Li  Li2  1  0.250  0.666  0.183  1.0
  Li  Li3  1  0.250  0.834  0.683  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.250  0.102  0.330  1.0
  Mn  Mn7  1  0.250  0.398  0.830  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.500  0.500  1.0
  Mn  Mn10  1  0.750  0.602  0.170  1.0
  Mn  Mn11  1  0.750  0.898  0.670  1.0
  F  F12  1  0.750  0.044  0.491  1.0
  F  F13  1  0.511  0.136  0.207  1.0
  F  F14  1  0.989  0.136  0.207  1.0
  F  F15  1  0.750  0.107  0.879  1.0
  F  F16  1  0.250  0.154  0.923  1.0
  F  F17  1  0.250  0.346  0.423  1.0
  F  F18  1  0.750  0.393  0.379  1.0
  F  F19  1  0.511  0.364  0.707  1.0
  F  F20  1  0.989  0.364  0.707  1.0
  F  F21  1  0.750  0.456  0.991  1.0
  F  F22  1  0.250  0.544  0.009  1.0
  F  F23  1  0.011  0.636  0.293  1.0
  F  F24  1  0.489  0.636  0.293  1.0
  F  F25  1  0.250  0.607  0.621  1.0
  F  F26  1  0.750  0.654  0.577  1.0
  F  F27  1  0.750  0.846  0.077  1.0
  F  F28  1  0.250  0.893  0.121  1.0
  F  F29  1  0.011  0.864  0.793  1.0
  F  F30  1  0.489  0.864  0.793  1.0
  F  F31  1  0.250  0.956  0.509  1.0
[/CIF]
.