The crystal structure described by Li2CuF4 is Corundum-derived structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Cu(1)F4 trigonal pyramids and edges with six equivalent Li(1)F6 octahedra. Cu(1) is bonded to four equivalent F(1) atoms to form distorted CuF4 trigonal pyramids that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-79°. F(1) is bonded to three equivalent Li(1) and one Cu(1) atom to form a mixture of corner and edge-sharing FLi3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.659
_cell_length_c   5.659
_cell_angle_alpha   112.192
_cell_angle_beta   112.192
_cell_angle_gamma   104.157
_symmetry_Int_Tables_number   1
_cell_volume   138.614
_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  0.375  0.125  0.750  1.0
  Li  Li1  1  0.875  0.625  0.250  1.0
  Li  Li2  1  0.375  0.625  0.250  1.0
  Li  Li3  1  0.375  0.625  0.750  1.0
  Cu  Cu4  1  0.750  0.250  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.131  0.340  0.792  1.0
  F  F7  1  0.660  0.452  0.792  1.0
  F  F8  1  0.548  0.340  0.208  1.0
  F  F9  1  0.660  0.869  0.208  1.0
  F  F10  1  0.090  0.381  0.292  1.0
  F  F11  1  0.202  0.910  0.292  1.0
  F  F12  1  0.090  0.798  0.708  1.0
  F  F13  1  0.619  0.910  0.708  1.0
[/CIF]
.
The crystal structure described by Li2CuF4 is Corundum-derived structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Cu(1)F4 trigonal pyramids and edges with six equivalent Li(1)F6 octahedra. Cu(1) is bonded to four equivalent F(1) atoms to form distorted CuF4 trigonal pyramids that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-79°. F(1) is bonded to three equivalent Li(1) and one Cu(1) atom to form a mixture of corner and edge-sharing FLi3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.659
_cell_length_c   5.659
_cell_angle_alpha   112.192
_cell_angle_beta   112.192
_cell_angle_gamma   104.157
_symmetry_Int_Tables_number   1
_cell_volume   138.614
_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  0.375  0.125  0.750  1.0
  Li  Li1  1  0.875  0.625  0.250  1.0
  Li  Li2  1  0.375  0.625  0.250  1.0
  Li  Li3  1  0.375  0.625  0.750  1.0
  Cu  Cu4  1  0.750  0.250  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.131  0.340  0.792  1.0
  F  F7  1  0.660  0.452  0.792  1.0
  F  F8  1  0.548  0.340  0.208  1.0
  F  F9  1  0.660  0.869  0.208  1.0
  F  F10  1  0.090  0.381  0.292  1.0
  F  F11  1  0.202  0.910  0.292  1.0
  F  F12  1  0.090  0.798  0.708  1.0
  F  F13  1  0.619  0.910  0.708  1.0
[/CIF]
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