The crystal structure described by LiMnF3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, 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. In the second F site, F(2) is bonded in a linear geometry to one Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.049
_cell_length_b   6.049
_cell_length_c   5.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.319
_symmetry_Int_Tables_number   1
_cell_volume   161.474
_cell_formula_units_Z   2
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  0.563  0.437  0.989  1.0
  Li  Li1  1  0.437  0.563  0.489  1.0
  Mn  Mn2  1  0.912  0.088  0.990  1.0
  Mn  Mn3  1  0.088  0.912  0.490  1.0
  F  F4  1  0.751  0.752  0.739  1.0
  F  F5  1  0.732  0.268  0.977  1.0
  F  F6  1  0.752  0.751  0.239  1.0
  F  F7  1  0.248  0.249  0.739  1.0
  F  F8  1  0.268  0.732  0.477  1.0
  F  F9  1  0.249  0.248  0.239  1.0
[/CIF]
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The crystal structure described by LiMnF3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, 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. In the second F site, F(2) is bonded in a linear geometry to one Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.049
_cell_length_b   6.049
_cell_length_c   5.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.319
_symmetry_Int_Tables_number   1
_cell_volume   161.474
_cell_formula_units_Z   2
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  0.563  0.437  0.989  1.0
  Li  Li1  1  0.437  0.563  0.489  1.0
  Mn  Mn2  1  0.912  0.088  0.990  1.0
  Mn  Mn3  1  0.088  0.912  0.490  1.0
  F  F4  1  0.751  0.752  0.739  1.0
  F  F5  1  0.732  0.268  0.977  1.0
  F  F6  1  0.752  0.751  0.239  1.0
  F  F7  1  0.248  0.249  0.739  1.0
  F  F8  1  0.268  0.732  0.477  1.0
  F  F9  1  0.249  0.248  0.239  1.0
[/CIF]
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