The crystal structure described by LiCuF2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(1) and three equivalent F(2) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. Cu(1) is bonded in a linear geometry to one F(1) and one F(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_LiCuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.711
_cell_length_c   6.276
_cell_angle_alpha   89.233
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.981
_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  0.822  0.649  0.592  1.0
  Li  Li1  1  0.678  0.149  0.592  1.0
  Li  Li2  1  0.322  0.851  0.408  1.0
  Li  Li3  1  0.178  0.351  0.408  1.0
  Cu  Cu4  1  0.243  0.604  0.918  1.0
  Cu  Cu5  1  0.257  0.104  0.918  1.0
  Cu  Cu6  1  0.743  0.896  0.082  1.0
  Cu  Cu7  1  0.757  0.396  0.082  1.0
  F  F8  1  0.777  0.905  0.789  1.0
  F  F9  1  0.723  0.405  0.789  1.0
  F  F10  1  0.195  0.621  0.620  1.0
  F  F11  1  0.305  0.121  0.620  1.0
  F  F12  1  0.695  0.879  0.380  1.0
  F  F13  1  0.805  0.379  0.380  1.0
  F  F14  1  0.277  0.595  0.211  1.0
  F  F15  1  0.223  0.095  0.211  1.0
[/CIF]
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The crystal structure described by LiCuF2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(1) and three equivalent F(2) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. Cu(1) is bonded in a linear geometry to one F(1) and one F(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_LiCuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.711
_cell_length_c   6.276
_cell_angle_alpha   89.233
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.981
_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  0.822  0.649  0.592  1.0
  Li  Li1  1  0.678  0.149  0.592  1.0
  Li  Li2  1  0.322  0.851  0.408  1.0
  Li  Li3  1  0.178  0.351  0.408  1.0
  Cu  Cu4  1  0.243  0.604  0.918  1.0
  Cu  Cu5  1  0.257  0.104  0.918  1.0
  Cu  Cu6  1  0.743  0.896  0.082  1.0
  Cu  Cu7  1  0.757  0.396  0.082  1.0
  F  F8  1  0.777  0.905  0.789  1.0
  F  F9  1  0.723  0.405  0.789  1.0
  F  F10  1  0.195  0.621  0.620  1.0
  F  F11  1  0.305  0.121  0.620  1.0
  F  F12  1  0.695  0.879  0.380  1.0
  F  F13  1  0.805  0.379  0.380  1.0
  F  F14  1  0.277  0.595  0.211  1.0
  F  F15  1  0.223  0.095  0.211  1.0
[/CIF]
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