The crystal structure described by Li2MnF4 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(1) and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one F(4) and two equivalent F(2) atoms. Mn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form edge-sharing MnF6 octahedra. There are four 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 trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.286
_cell_length_b   8.753
_cell_length_c   8.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.219
_cell_formula_units_Z   2
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  0.000  0.254  0.981  1.0
  Li  Li1  1  0.000  0.231  0.496  1.0
  Li  Li2  1  0.000  0.754  0.019  1.0
  Li  Li3  1  0.000  0.731  0.504  1.0
  Mn  Mn4  1  0.500  1.000  0.249  1.0
  Mn  Mn5  1  0.500  0.500  0.751  1.0
  F  F6  1  0.000  0.111  0.135  1.0
  F  F7  1  0.500  0.169  0.424  1.0
  F  F8  1  0.500  0.325  0.920  1.0
  F  F9  1  0.000  0.384  0.639  1.0
  F  F10  1  0.000  0.611  0.865  1.0
  F  F11  1  0.500  0.669  0.576  1.0
  F  F12  1  0.500  0.825  0.080  1.0
  F  F13  1  0.000  0.884  0.361  1.0
[/CIF]
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The crystal structure described by Li2MnF4 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(1) and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one F(4) and two equivalent F(2) atoms. Mn(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form edge-sharing MnF6 octahedra. There are four 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 trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.286
_cell_length_b   8.753
_cell_length_c   8.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.219
_cell_formula_units_Z   2
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  0.000  0.254  0.981  1.0
  Li  Li1  1  0.000  0.231  0.496  1.0
  Li  Li2  1  0.000  0.754  0.019  1.0
  Li  Li3  1  0.000  0.731  0.504  1.0
  Mn  Mn4  1  0.500  1.000  0.249  1.0
  Mn  Mn5  1  0.500  0.500  0.751  1.0
  F  F6  1  0.000  0.111  0.135  1.0
  F  F7  1  0.500  0.169  0.424  1.0
  F  F8  1  0.500  0.325  0.920  1.0
  F  F9  1  0.000  0.384  0.639  1.0
  F  F10  1  0.000  0.611  0.865  1.0
  F  F11  1  0.500  0.669  0.576  1.0
  F  F12  1  0.500  0.825  0.080  1.0
  F  F13  1  0.000  0.884  0.361  1.0
[/CIF]
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