The crystal structure described by Li2CuF4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. Cu(1) is bonded in a distorted square co-planar geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded to one Li(2), two equivalent Li(1), and one Cu(1) atom to form corner-sharing FLi3Cu tetrahedra. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cu(1) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   5.596
_cell_length_c   11.056
_cell_angle_alpha   69.038
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.667
_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  0.122  0.650  0.772  1.0
  Li  Li1  1  0.259  0.838  0.502  1.0
  Li  Li2  1  0.759  0.162  0.998  1.0
  Li  Li3  1  0.622  0.350  0.728  1.0
  Li  Li4  1  0.378  0.650  0.272  1.0
  Li  Li5  1  0.241  0.838  0.002  1.0
  Li  Li6  1  0.741  0.162  0.498  1.0
  Li  Li7  1  0.878  0.350  0.228  1.0
  Cu  Cu8  1  0.330  0.244  0.120  1.0
  Cu  Cu9  1  0.830  0.756  0.380  1.0
  Cu  Cu10  1  0.170  0.244  0.620  1.0
  Cu  Cu11  1  0.670  0.756  0.880  1.0
  F  F12  1  0.640  0.393  0.102  1.0
  F  F13  1  0.823  0.480  0.843  1.0
  F  F14  1  0.979  0.065  0.378  1.0
  F  F15  1  0.323  0.520  0.657  1.0
  F  F16  1  0.534  0.909  0.391  1.0
  F  F17  1  0.034  0.091  0.109  1.0
  F  F18  1  0.860  0.393  0.602  1.0
  F  F19  1  0.479  0.935  0.122  1.0
  F  F20  1  0.521  0.065  0.878  1.0
  F  F21  1  0.140  0.607  0.398  1.0
  F  F22  1  0.966  0.909  0.891  1.0
  F  F23  1  0.466  0.091  0.609  1.0
  F  F24  1  0.677  0.480  0.343  1.0
  F  F25  1  0.021  0.935  0.622  1.0
  F  F26  1  0.177  0.520  0.157  1.0
  F  F27  1  0.360  0.607  0.898  1.0
[/CIF]
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The crystal structure described by Li2CuF4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. Cu(1) is bonded in a distorted square co-planar geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded to one Li(2), two equivalent Li(1), and one Cu(1) atom to form corner-sharing FLi3Cu tetrahedra. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cu(1) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   5.596
_cell_length_c   11.056
_cell_angle_alpha   69.038
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.667
_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  0.122  0.650  0.772  1.0
  Li  Li1  1  0.259  0.838  0.502  1.0
  Li  Li2  1  0.759  0.162  0.998  1.0
  Li  Li3  1  0.622  0.350  0.728  1.0
  Li  Li4  1  0.378  0.650  0.272  1.0
  Li  Li5  1  0.241  0.838  0.002  1.0
  Li  Li6  1  0.741  0.162  0.498  1.0
  Li  Li7  1  0.878  0.350  0.228  1.0
  Cu  Cu8  1  0.330  0.244  0.120  1.0
  Cu  Cu9  1  0.830  0.756  0.380  1.0
  Cu  Cu10  1  0.170  0.244  0.620  1.0
  Cu  Cu11  1  0.670  0.756  0.880  1.0
  F  F12  1  0.640  0.393  0.102  1.0
  F  F13  1  0.823  0.480  0.843  1.0
  F  F14  1  0.979  0.065  0.378  1.0
  F  F15  1  0.323  0.520  0.657  1.0
  F  F16  1  0.534  0.909  0.391  1.0
  F  F17  1  0.034  0.091  0.109  1.0
  F  F18  1  0.860  0.393  0.602  1.0
  F  F19  1  0.479  0.935  0.122  1.0
  F  F20  1  0.521  0.065  0.878  1.0
  F  F21  1  0.140  0.607  0.398  1.0
  F  F22  1  0.966  0.909  0.891  1.0
  F  F23  1  0.466  0.091  0.609  1.0
  F  F24  1  0.677  0.480  0.343  1.0
  F  F25  1  0.021  0.935  0.622  1.0
  F  F26  1  0.177  0.520  0.157  1.0
  F  F27  1  0.360  0.607  0.898  1.0
[/CIF]
.