The material described by LiMnF3 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 12-31°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   5.967
_cell_length_c   8.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.135
_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  0.177  0.183  0.750  1.0
  Li  Li1  1  0.677  0.317  0.250  1.0
  Li  Li2  1  0.323  0.683  0.750  1.0
  Li  Li3  1  0.823  0.817  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.187  0.191  0.532  1.0
  F  F9  1  0.187  0.191  0.968  1.0
  F  F10  1  0.038  0.489  0.750  1.0
  F  F11  1  0.462  0.989  0.750  1.0
  F  F12  1  0.313  0.691  0.532  1.0
  F  F13  1  0.313  0.691  0.968  1.0
  F  F14  1  0.687  0.309  0.032  1.0
  F  F15  1  0.687  0.309  0.468  1.0
  F  F16  1  0.538  0.011  0.250  1.0
  F  F17  1  0.962  0.511  0.250  1.0
  F  F18  1  0.813  0.809  0.468  1.0
  F  F19  1  0.813  0.809  0.032  1.0
[/CIF]
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The material described by LiMnF3 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 12-31°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   5.967
_cell_length_c   8.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.135
_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  0.177  0.183  0.750  1.0
  Li  Li1  1  0.677  0.317  0.250  1.0
  Li  Li2  1  0.323  0.683  0.750  1.0
  Li  Li3  1  0.823  0.817  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.187  0.191  0.532  1.0
  F  F9  1  0.187  0.191  0.968  1.0
  F  F10  1  0.038  0.489  0.750  1.0
  F  F11  1  0.462  0.989  0.750  1.0
  F  F12  1  0.313  0.691  0.532  1.0
  F  F13  1  0.313  0.691  0.968  1.0
  F  F14  1  0.687  0.309  0.032  1.0
  F  F15  1  0.687  0.309  0.468  1.0
  F  F16  1  0.538  0.011  0.250  1.0
  F  F17  1  0.962  0.511  0.250  1.0
  F  F18  1  0.813  0.809  0.468  1.0
  F  F19  1  0.813  0.809  0.032  1.0
[/CIF]
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