The compound described by LiCu2F4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. Cu(1) is bonded in a 6-coordinate geometry to one F(2), two equivalent F(3), and three equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Cu(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent Cu(1) atoms to form corner-sharing FLi2Cu2 tetrahedra. In the third F site, F(3) is bonded in a square co-planar geometry to four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.863
_cell_length_b   3.019
_cell_length_c   5.288
_cell_angle_alpha   84.360
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.680
_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  0.250  0.963  0.222  1.0
  Li  Li1  1  0.750  0.037  0.778  1.0
  Cu  Cu2  1  0.075  0.641  0.735  1.0
  Cu  Cu3  1  0.425  0.641  0.735  1.0
  Cu  Cu4  1  0.575  0.359  0.265  1.0
  Cu  Cu5  1  0.925  0.359  0.265  1.0
  F  F6  1  0.617  0.676  0.581  1.0
  F  F7  1  0.883  0.676  0.581  1.0
  F  F8  1  0.250  0.574  0.929  1.0
  F  F9  1  0.750  0.426  0.071  1.0
  F  F10  1  0.117  0.324  0.419  1.0
  F  F11  1  0.383  0.324  0.419  1.0
  F  F12  1  0.500  0.000  0.000  1.0
  F  F13  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by LiCu2F4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. Cu(1) is bonded in a 6-coordinate geometry to one F(2), two equivalent F(3), and three equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Cu(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent Cu(1) atoms to form corner-sharing FLi2Cu2 tetrahedra. In the third F site, F(3) is bonded in a square co-planar geometry to four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.863
_cell_length_b   3.019
_cell_length_c   5.288
_cell_angle_alpha   84.360
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.680
_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  0.250  0.963  0.222  1.0
  Li  Li1  1  0.750  0.037  0.778  1.0
  Cu  Cu2  1  0.075  0.641  0.735  1.0
  Cu  Cu3  1  0.425  0.641  0.735  1.0
  Cu  Cu4  1  0.575  0.359  0.265  1.0
  Cu  Cu5  1  0.925  0.359  0.265  1.0
  F  F6  1  0.617  0.676  0.581  1.0
  F  F7  1  0.883  0.676  0.581  1.0
  F  F8  1  0.250  0.574  0.929  1.0
  F  F9  1  0.750  0.426  0.071  1.0
  F  F10  1  0.117  0.324  0.419  1.0
  F  F11  1  0.383  0.324  0.419  1.0
  F  F12  1  0.500  0.000  0.000  1.0
  F  F13  1  0.000  0.000  0.000  1.0
[/CIF]
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