The material described by LiCuF4 crystallizes in the tetragonal I4/mcm space group. Li(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_LiCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   129.454
_cell_angle_beta   129.454
_cell_angle_gamma   74.282
_symmetry_Int_Tables_number   1
_cell_volume   133.850
_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  0.750  0.750  0.000  1.0
  Li  Li1  1  0.250  0.250  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.454  0.302  0.500  1.0
  F  F5  1  0.954  0.454  0.151  1.0
  F  F6  1  0.198  0.046  0.500  1.0
  F  F7  1  0.302  0.802  0.849  1.0
  F  F8  1  0.698  0.198  0.151  1.0
  F  F9  1  0.802  0.954  0.500  1.0
  F  F10  1  0.046  0.546  0.849  1.0
  F  F11  1  0.546  0.698  0.500  1.0
[/CIF]
.
The material described by LiCuF4 crystallizes in the tetragonal I4/mcm space group. Li(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_LiCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   129.454
_cell_angle_beta   129.454
_cell_angle_gamma   74.282
_symmetry_Int_Tables_number   1
_cell_volume   133.850
_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  0.750  0.750  0.000  1.0
  Li  Li1  1  0.250  0.250  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.454  0.302  0.500  1.0
  F  F5  1  0.954  0.454  0.151  1.0
  F  F6  1  0.198  0.046  0.500  1.0
  F  F7  1  0.302  0.802  0.849  1.0
  F  F8  1  0.698  0.198  0.151  1.0
  F  F9  1  0.802  0.954  0.500  1.0
  F  F10  1  0.046  0.546  0.849  1.0
  F  F11  1  0.546  0.698  0.500  1.0
[/CIF]
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