The crystal structure described by LiMnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. Mn(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.844
_cell_length_b   5.956
_cell_length_c   10.500
_cell_angle_alpha   89.861
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.981
_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  0.508  0.877  0.853  1.0
  Li  Li1  1  0.992  0.877  0.353  1.0
  Li  Li2  1  0.008  0.123  0.647  1.0
  Li  Li3  1  0.492  0.123  0.147  1.0
  Mn  Mn4  1  0.032  0.632  0.635  1.0
  Mn  Mn5  1  0.468  0.632  0.135  1.0
  Mn  Mn6  1  0.532  0.368  0.865  1.0
  Mn  Mn7  1  0.968  0.368  0.365  1.0
  F  F8  1  0.251  0.861  0.704  1.0
  F  F9  1  0.249  0.861  0.204  1.0
  F  F10  1  0.819  0.859  0.565  1.0
  F  F11  1  0.681  0.859  0.065  1.0
  F  F12  1  0.313  0.606  0.937  1.0
  F  F13  1  0.187  0.606  0.437  1.0
  F  F14  1  0.759  0.605  0.800  1.0
  F  F15  1  0.741  0.605  0.300  1.0
  F  F16  1  0.259  0.395  0.700  1.0
  F  F17  1  0.241  0.395  0.200  1.0
  F  F18  1  0.813  0.394  0.563  1.0
  F  F19  1  0.687  0.394  0.063  1.0
  F  F20  1  0.319  0.141  0.935  1.0
  F  F21  1  0.181  0.141  0.435  1.0
  F  F22  1  0.751  0.139  0.796  1.0
  F  F23  1  0.749  0.139  0.296  1.0
[/CIF]
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The crystal structure described by LiMnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. Mn(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.844
_cell_length_b   5.956
_cell_length_c   10.500
_cell_angle_alpha   89.861
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.981
_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  0.508  0.877  0.853  1.0
  Li  Li1  1  0.992  0.877  0.353  1.0
  Li  Li2  1  0.008  0.123  0.647  1.0
  Li  Li3  1  0.492  0.123  0.147  1.0
  Mn  Mn4  1  0.032  0.632  0.635  1.0
  Mn  Mn5  1  0.468  0.632  0.135  1.0
  Mn  Mn6  1  0.532  0.368  0.865  1.0
  Mn  Mn7  1  0.968  0.368  0.365  1.0
  F  F8  1  0.251  0.861  0.704  1.0
  F  F9  1  0.249  0.861  0.204  1.0
  F  F10  1  0.819  0.859  0.565  1.0
  F  F11  1  0.681  0.859  0.065  1.0
  F  F12  1  0.313  0.606  0.937  1.0
  F  F13  1  0.187  0.606  0.437  1.0
  F  F14  1  0.759  0.605  0.800  1.0
  F  F15  1  0.741  0.605  0.300  1.0
  F  F16  1  0.259  0.395  0.700  1.0
  F  F17  1  0.241  0.395  0.200  1.0
  F  F18  1  0.813  0.394  0.563  1.0
  F  F19  1  0.687  0.394  0.063  1.0
  F  F20  1  0.319  0.141  0.935  1.0
  F  F21  1  0.181  0.141  0.435  1.0
  F  F22  1  0.751  0.139  0.796  1.0
  F  F23  1  0.749  0.139  0.296  1.0
[/CIF]
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