The material structure described by LiMnF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded to six equivalent F(1) atoms to form distorted LiF6 octahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with six equivalent Li(1)F6 octahedra, edges with three equivalent Mn(1)F6 octahedra, and  a faceface with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. Mn(1) is bonded to six equivalent F(1) atoms to form distorted MnF6 octahedra that share corners with three equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, and  a faceface with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.208
_cell_length_b   6.208
_cell_length_c   6.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.304
_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  0.090  0.090  0.090  1.0
  Li  Li1  1  0.410  0.910  0.590  1.0
  Li  Li2  1  0.590  0.410  0.910  1.0
  Li  Li3  1  0.910  0.590  0.410  1.0
  Mn  Mn4  1  0.141  0.641  0.859  1.0
  Mn  Mn5  1  0.359  0.359  0.359  1.0
  Mn  Mn6  1  0.641  0.859  0.141  1.0
  Mn  Mn7  1  0.859  0.141  0.641  1.0
  F  F8  1  0.518  0.232  0.631  1.0
  F  F9  1  0.482  0.732  0.869  1.0
  F  F10  1  0.268  0.369  0.018  1.0
  F  F11  1  0.631  0.518  0.232  1.0
  F  F12  1  0.869  0.482  0.732  1.0
  F  F13  1  0.232  0.631  0.518  1.0
  F  F14  1  0.018  0.268  0.369  1.0
  F  F15  1  0.982  0.768  0.131  1.0
  F  F16  1  0.768  0.131  0.982  1.0
  F  F17  1  0.131  0.982  0.768  1.0
  F  F18  1  0.369  0.018  0.268  1.0
  F  F19  1  0.732  0.869  0.482  1.0
[/CIF]
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The material structure described by LiMnF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded to six equivalent F(1) atoms to form distorted LiF6 octahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with six equivalent Li(1)F6 octahedra, edges with three equivalent Mn(1)F6 octahedra, and  a faceface with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. Mn(1) is bonded to six equivalent F(1) atoms to form distorted MnF6 octahedra that share corners with three equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, and  a faceface with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.208
_cell_length_b   6.208
_cell_length_c   6.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.304
_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  0.090  0.090  0.090  1.0
  Li  Li1  1  0.410  0.910  0.590  1.0
  Li  Li2  1  0.590  0.410  0.910  1.0
  Li  Li3  1  0.910  0.590  0.410  1.0
  Mn  Mn4  1  0.141  0.641  0.859  1.0
  Mn  Mn5  1  0.359  0.359  0.359  1.0
  Mn  Mn6  1  0.641  0.859  0.141  1.0
  Mn  Mn7  1  0.859  0.141  0.641  1.0
  F  F8  1  0.518  0.232  0.631  1.0
  F  F9  1  0.482  0.732  0.869  1.0
  F  F10  1  0.268  0.369  0.018  1.0
  F  F11  1  0.631  0.518  0.232  1.0
  F  F12  1  0.869  0.482  0.732  1.0
  F  F13  1  0.232  0.631  0.518  1.0
  F  F14  1  0.018  0.268  0.369  1.0
  F  F15  1  0.982  0.768  0.131  1.0
  F  F16  1  0.768  0.131  0.982  1.0
  F  F17  1  0.131  0.982  0.768  1.0
  F  F18  1  0.369  0.018  0.268  1.0
  F  F19  1  0.732  0.869  0.482  1.0
[/CIF]
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