The material structure described by LiMnF4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. Mn(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form MnF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) 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   5.022
_cell_length_b   5.833
_cell_length_c   10.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.665
_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  0.423  0.250  0.080  1.0
  Li  Li1  1  0.923  0.750  0.420  1.0
  Li  Li2  1  0.077  0.250  0.580  1.0
  Li  Li3  1  0.577  0.750  0.920  1.0
  Mn  Mn4  1  0.465  0.750  0.240  1.0
  Mn  Mn5  1  0.965  0.250  0.260  1.0
  Mn  Mn6  1  0.035  0.750  0.740  1.0
  Mn  Mn7  1  0.535  0.250  0.760  1.0
  F  F8  1  0.625  0.750  0.089  1.0
  F  F9  1  0.793  0.250  0.112  1.0
  F  F10  1  0.247  0.024  0.186  1.0
  F  F11  1  0.247  0.476  0.186  1.0
  F  F12  1  0.747  0.524  0.314  1.0
  F  F13  1  0.747  0.976  0.314  1.0
  F  F14  1  0.293  0.750  0.388  1.0
  F  F15  1  0.125  0.250  0.411  1.0
  F  F16  1  0.875  0.750  0.589  1.0
  F  F17  1  0.707  0.250  0.612  1.0
  F  F18  1  0.253  0.024  0.686  1.0
  F  F19  1  0.253  0.476  0.686  1.0
  F  F20  1  0.753  0.524  0.814  1.0
  F  F21  1  0.753  0.976  0.814  1.0
  F  F22  1  0.207  0.750  0.888  1.0
  F  F23  1  0.375  0.250  0.911  1.0
[/CIF]
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The material structure described by LiMnF4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. Mn(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form MnF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) 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   5.022
_cell_length_b   5.833
_cell_length_c   10.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.665
_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  0.423  0.250  0.080  1.0
  Li  Li1  1  0.923  0.750  0.420  1.0
  Li  Li2  1  0.077  0.250  0.580  1.0
  Li  Li3  1  0.577  0.750  0.920  1.0
  Mn  Mn4  1  0.465  0.750  0.240  1.0
  Mn  Mn5  1  0.965  0.250  0.260  1.0
  Mn  Mn6  1  0.035  0.750  0.740  1.0
  Mn  Mn7  1  0.535  0.250  0.760  1.0
  F  F8  1  0.625  0.750  0.089  1.0
  F  F9  1  0.793  0.250  0.112  1.0
  F  F10  1  0.247  0.024  0.186  1.0
  F  F11  1  0.247  0.476  0.186  1.0
  F  F12  1  0.747  0.524  0.314  1.0
  F  F13  1  0.747  0.976  0.314  1.0
  F  F14  1  0.293  0.750  0.388  1.0
  F  F15  1  0.125  0.250  0.411  1.0
  F  F16  1  0.875  0.750  0.589  1.0
  F  F17  1  0.707  0.250  0.612  1.0
  F  F18  1  0.253  0.024  0.686  1.0
  F  F19  1  0.253  0.476  0.686  1.0
  F  F20  1  0.753  0.524  0.814  1.0
  F  F21  1  0.753  0.976  0.814  1.0
  F  F22  1  0.207  0.750  0.888  1.0
  F  F23  1  0.375  0.250  0.911  1.0
[/CIF]
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