The material described by LiMnF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. Mn(1) is bonded to six equivalent F(1) atoms to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 51°. F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.241
_cell_length_b   6.241
_cell_length_c   6.241
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.075
_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  0.630  0.630  0.630  1.0
  Li  Li1  1  0.370  0.130  0.870  1.0
  Li  Li2  1  0.870  0.370  0.130  1.0
  Li  Li3  1  0.130  0.870  0.370  1.0
  Mn  Mn4  1  0.337  0.337  0.337  1.0
  Mn  Mn5  1  0.163  0.663  0.837  1.0
  Mn  Mn6  1  0.837  0.163  0.663  1.0
  Mn  Mn7  1  0.663  0.837  0.163  1.0
  F  F8  1  0.126  0.990  0.734  1.0
  F  F9  1  0.010  0.234  0.374  1.0
  F  F10  1  0.234  0.374  0.010  1.0
  F  F11  1  0.266  0.626  0.510  1.0
  F  F12  1  0.490  0.766  0.874  1.0
  F  F13  1  0.374  0.010  0.234  1.0
  F  F14  1  0.626  0.510  0.266  1.0
  F  F15  1  0.510  0.266  0.626  1.0
  F  F16  1  0.734  0.126  0.990  1.0
  F  F17  1  0.766  0.874  0.490  1.0
  F  F18  1  0.990  0.734  0.126  1.0
  F  F19  1  0.874  0.490  0.766  1.0
[/CIF]
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The material described by LiMnF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. Mn(1) is bonded to six equivalent F(1) atoms to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 51°. F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.241
_cell_length_b   6.241
_cell_length_c   6.241
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.075
_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  0.630  0.630  0.630  1.0
  Li  Li1  1  0.370  0.130  0.870  1.0
  Li  Li2  1  0.870  0.370  0.130  1.0
  Li  Li3  1  0.130  0.870  0.370  1.0
  Mn  Mn4  1  0.337  0.337  0.337  1.0
  Mn  Mn5  1  0.163  0.663  0.837  1.0
  Mn  Mn6  1  0.837  0.163  0.663  1.0
  Mn  Mn7  1  0.663  0.837  0.163  1.0
  F  F8  1  0.126  0.990  0.734  1.0
  F  F9  1  0.010  0.234  0.374  1.0
  F  F10  1  0.234  0.374  0.010  1.0
  F  F11  1  0.266  0.626  0.510  1.0
  F  F12  1  0.490  0.766  0.874  1.0
  F  F13  1  0.374  0.010  0.234  1.0
  F  F14  1  0.626  0.510  0.266  1.0
  F  F15  1  0.510  0.266  0.626  1.0
  F  F16  1  0.734  0.126  0.990  1.0
  F  F17  1  0.766  0.874  0.490  1.0
  F  F18  1  0.990  0.734  0.126  1.0
  F  F19  1  0.874  0.490  0.766  1.0
[/CIF]
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