The structure described by LiMnF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to four equivalent F(1) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   7.372
_cell_length_c   5.281
_cell_angle_alpha   57.502
_cell_angle_beta   90.000
_cell_angle_gamma   68.810
_symmetry_Int_Tables_number   1
_cell_volume   158.098
_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  0.097  0.000  0.750  1.0
  Li  Li1  1  0.903  0.000  0.250  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.967  0.808  0.697  1.0
  F  F5  1  0.609  0.610  0.713  1.0
  F  F6  1  0.225  0.808  0.197  1.0
  F  F7  1  0.780  0.610  0.213  1.0
  F  F8  1  0.220  0.390  0.787  1.0
  F  F9  1  0.775  0.192  0.803  1.0
  F  F10  1  0.391  0.390  0.287  1.0
  F  F11  1  0.033  0.192  0.303  1.0
[/CIF]
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The structure described by LiMnF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to four equivalent F(1) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   7.372
_cell_length_c   5.281
_cell_angle_alpha   57.502
_cell_angle_beta   90.000
_cell_angle_gamma   68.810
_symmetry_Int_Tables_number   1
_cell_volume   158.098
_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  0.097  0.000  0.750  1.0
  Li  Li1  1  0.903  0.000  0.250  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.967  0.808  0.697  1.0
  F  F5  1  0.609  0.610  0.713  1.0
  F  F6  1  0.225  0.808  0.197  1.0
  F  F7  1  0.780  0.610  0.213  1.0
  F  F8  1  0.220  0.390  0.787  1.0
  F  F9  1  0.775  0.192  0.803  1.0
  F  F10  1  0.391  0.390  0.287  1.0
  F  F11  1  0.033  0.192  0.303  1.0
[/CIF]
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