The material structure described by LiCu2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with six equivalent Cu(2)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cu site, Cu(2) is bonded to one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with six equivalent Li(1)F6 octahedra,  an edgeedge with one Cu(1)F6 octahedra, and  an edgeedge with one Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cu(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(2) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(2) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiCu2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   5.621
_cell_length_c   15.500
_cell_angle_alpha   80.315
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.911
_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  0.507  0.121  0.076  1.0
  Li  Li1  1  0.993  0.121  0.576  1.0
  Li  Li2  1  0.007  0.879  0.424  1.0
  Li  Li3  1  0.493  0.879  0.924  1.0
  Cu  Cu4  1  0.015  0.242  0.252  1.0
  Cu  Cu5  1  0.505  0.383  0.418  1.0
  Cu  Cu6  1  0.485  0.242  0.752  1.0
  Cu  Cu7  1  0.005  0.617  0.082  1.0
  Cu  Cu8  1  0.995  0.383  0.918  1.0
  Cu  Cu9  1  0.515  0.758  0.248  1.0
  Cu  Cu10  1  0.495  0.617  0.582  1.0
  Cu  Cu11  1  0.985  0.758  0.748  1.0
  F  F12  1  0.281  0.039  0.197  1.0
  F  F13  1  0.241  0.178  0.360  1.0
  F  F14  1  0.755  0.134  0.469  1.0
  F  F15  1  0.219  0.039  0.697  1.0
  F  F16  1  0.230  0.383  0.026  1.0
  F  F17  1  0.791  0.334  0.143  1.0
  F  F18  1  0.259  0.178  0.860  1.0
  F  F19  1  0.745  0.134  0.969  1.0
  F  F20  1  0.738  0.457  0.304  1.0
  F  F21  1  0.270  0.383  0.526  1.0
  F  F22  1  0.709  0.334  0.643  1.0
  F  F23  1  0.238  0.543  0.196  1.0
  F  F24  1  0.762  0.457  0.804  1.0
  F  F25  1  0.291  0.666  0.357  1.0
  F  F26  1  0.730  0.617  0.474  1.0
  F  F27  1  0.262  0.543  0.696  1.0
  F  F28  1  0.255  0.866  0.031  1.0
  F  F29  1  0.741  0.822  0.140  1.0
  F  F30  1  0.209  0.666  0.857  1.0
  F  F31  1  0.770  0.617  0.974  1.0
  F  F32  1  0.781  0.961  0.303  1.0
  F  F33  1  0.245  0.866  0.531  1.0
  F  F34  1  0.759  0.822  0.640  1.0
  F  F35  1  0.719  0.961  0.803  1.0
[/CIF]
.
The material structure described by LiCu2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with six equivalent Cu(2)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cu site, Cu(2) is bonded to one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with six equivalent Li(1)F6 octahedra,  an edgeedge with one Cu(1)F6 octahedra, and  an edgeedge with one Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cu(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(2) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(2) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiCu2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   5.621
_cell_length_c   15.500
_cell_angle_alpha   80.315
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.911
_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  0.507  0.121  0.076  1.0
  Li  Li1  1  0.993  0.121  0.576  1.0
  Li  Li2  1  0.007  0.879  0.424  1.0
  Li  Li3  1  0.493  0.879  0.924  1.0
  Cu  Cu4  1  0.015  0.242  0.252  1.0
  Cu  Cu5  1  0.505  0.383  0.418  1.0
  Cu  Cu6  1  0.485  0.242  0.752  1.0
  Cu  Cu7  1  0.005  0.617  0.082  1.0
  Cu  Cu8  1  0.995  0.383  0.918  1.0
  Cu  Cu9  1  0.515  0.758  0.248  1.0
  Cu  Cu10  1  0.495  0.617  0.582  1.0
  Cu  Cu11  1  0.985  0.758  0.748  1.0
  F  F12  1  0.281  0.039  0.197  1.0
  F  F13  1  0.241  0.178  0.360  1.0
  F  F14  1  0.755  0.134  0.469  1.0
  F  F15  1  0.219  0.039  0.697  1.0
  F  F16  1  0.230  0.383  0.026  1.0
  F  F17  1  0.791  0.334  0.143  1.0
  F  F18  1  0.259  0.178  0.860  1.0
  F  F19  1  0.745  0.134  0.969  1.0
  F  F20  1  0.738  0.457  0.304  1.0
  F  F21  1  0.270  0.383  0.526  1.0
  F  F22  1  0.709  0.334  0.643  1.0
  F  F23  1  0.238  0.543  0.196  1.0
  F  F24  1  0.762  0.457  0.804  1.0
  F  F25  1  0.291  0.666  0.357  1.0
  F  F26  1  0.730  0.617  0.474  1.0
  F  F27  1  0.262  0.543  0.696  1.0
  F  F28  1  0.255  0.866  0.031  1.0
  F  F29  1  0.741  0.822  0.140  1.0
  F  F30  1  0.209  0.666  0.857  1.0
  F  F31  1  0.770  0.617  0.974  1.0
  F  F32  1  0.781  0.961  0.303  1.0
  F  F33  1  0.245  0.866  0.531  1.0
  F  F34  1  0.759  0.822  0.640  1.0
  F  F35  1  0.719  0.961  0.803  1.0
[/CIF]
.