The structure described by LiCu2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_LiCu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.397
_cell_length_b   6.397
_cell_length_c   6.197
_cell_angle_alpha   71.862
_cell_angle_beta   71.862
_cell_angle_gamma   107.065
_symmetry_Int_Tables_number   1
_cell_volume   206.530
_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  0.635  0.365  0.750  1.0
  Li  Li1  1  0.365  0.635  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.946  0.279  0.853  1.0
  F  F7  1  0.828  0.666  0.729  1.0
  F  F8  1  0.721  0.054  0.647  1.0
  F  F9  1  0.666  0.828  0.229  1.0
  F  F10  1  0.332  0.668  0.750  1.0
  F  F11  1  0.668  0.332  0.250  1.0
  F  F12  1  0.334  0.172  0.771  1.0
  F  F13  1  0.279  0.946  0.353  1.0
  F  F14  1  0.172  0.334  0.271  1.0
  F  F15  1  0.054  0.721  0.147  1.0
[/CIF]
.
The structure described by LiCu2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_LiCu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.397
_cell_length_b   6.397
_cell_length_c   6.197
_cell_angle_alpha   71.862
_cell_angle_beta   71.862
_cell_angle_gamma   107.065
_symmetry_Int_Tables_number   1
_cell_volume   206.530
_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  0.635  0.365  0.750  1.0
  Li  Li1  1  0.365  0.635  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.946  0.279  0.853  1.0
  F  F7  1  0.828  0.666  0.729  1.0
  F  F8  1  0.721  0.054  0.647  1.0
  F  F9  1  0.666  0.828  0.229  1.0
  F  F10  1  0.332  0.668  0.750  1.0
  F  F11  1  0.668  0.332  0.250  1.0
  F  F12  1  0.334  0.172  0.771  1.0
  F  F13  1  0.279  0.946  0.353  1.0
  F  F14  1  0.172  0.334  0.271  1.0
  F  F15  1  0.054  0.721  0.147  1.0
[/CIF]
.