The structure described by Li5Cu3F14 crystallizes in the tetragonal P4/mnc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent F(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Cu site, Cu(2) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(2), and one Cu(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cu3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.966
_cell_length_b   6.966
_cell_length_c   9.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.655
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.230  0.270  0.250  1.0
  Li  Li2  1  0.230  0.270  0.750  1.0
  Li  Li3  1  0.270  0.770  0.750  1.0
  Li  Li4  1  0.270  0.770  0.250  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  Li  Li6  1  0.730  0.230  0.750  1.0
  Li  Li7  1  0.730  0.230  0.250  1.0
  Li  Li8  1  0.770  0.730  0.750  1.0
  Li  Li9  1  0.770  0.730  0.250  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  Cu  Cu12  1  0.000  0.500  0.500  1.0
  Cu  Cu13  1  0.500  0.500  0.500  1.0
  Cu  Cu14  1  0.500  0.000  0.000  1.0
  Cu  Cu15  1  0.500  0.000  0.500  1.0
  F  F16  1  0.000  0.000  0.194  1.0
  F  F17  1  0.000  0.000  0.806  1.0
  F  F18  1  0.036  0.699  0.363  1.0
  F  F19  1  0.036  0.699  0.637  1.0
  F  F20  1  0.104  0.248  0.000  1.0
  F  F21  1  0.199  0.536  0.137  1.0
  F  F22  1  0.199  0.536  0.863  1.0
  F  F23  1  0.248  0.896  0.000  1.0
  F  F24  1  0.252  0.396  0.500  1.0
  F  F25  1  0.301  0.036  0.363  1.0
  F  F26  1  0.301  0.036  0.637  1.0
  F  F27  1  0.396  0.748  0.500  1.0
  F  F28  1  0.464  0.199  0.137  1.0
  F  F29  1  0.464  0.199  0.863  1.0
  F  F30  1  0.500  0.500  0.306  1.0
  F  F31  1  0.500  0.500  0.694  1.0
  F  F32  1  0.536  0.801  0.137  1.0
  F  F33  1  0.536  0.801  0.863  1.0
  F  F34  1  0.604  0.252  0.500  1.0
  F  F35  1  0.699  0.964  0.363  1.0
  F  F36  1  0.699  0.964  0.637  1.0
  F  F37  1  0.748  0.604  0.500  1.0
  F  F38  1  0.752  0.104  0.000  1.0
  F  F39  1  0.801  0.464  0.137  1.0
  F  F40  1  0.801  0.464  0.863  1.0
  F  F41  1  0.896  0.752  0.000  1.0
  F  F42  1  0.964  0.301  0.363  1.0
  F  F43  1  0.964  0.301  0.637  1.0
[/CIF]
.
The structure described by Li5Cu3F14 crystallizes in the tetragonal P4/mnc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent F(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Cu site, Cu(2) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(2), and one Cu(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cu3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.966
_cell_length_b   6.966
_cell_length_c   9.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.655
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.230  0.270  0.250  1.0
  Li  Li2  1  0.230  0.270  0.750  1.0
  Li  Li3  1  0.270  0.770  0.750  1.0
  Li  Li4  1  0.270  0.770  0.250  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  Li  Li6  1  0.730  0.230  0.750  1.0
  Li  Li7  1  0.730  0.230  0.250  1.0
  Li  Li8  1  0.770  0.730  0.750  1.0
  Li  Li9  1  0.770  0.730  0.250  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  Cu  Cu12  1  0.000  0.500  0.500  1.0
  Cu  Cu13  1  0.500  0.500  0.500  1.0
  Cu  Cu14  1  0.500  0.000  0.000  1.0
  Cu  Cu15  1  0.500  0.000  0.500  1.0
  F  F16  1  0.000  0.000  0.194  1.0
  F  F17  1  0.000  0.000  0.806  1.0
  F  F18  1  0.036  0.699  0.363  1.0
  F  F19  1  0.036  0.699  0.637  1.0
  F  F20  1  0.104  0.248  0.000  1.0
  F  F21  1  0.199  0.536  0.137  1.0
  F  F22  1  0.199  0.536  0.863  1.0
  F  F23  1  0.248  0.896  0.000  1.0
  F  F24  1  0.252  0.396  0.500  1.0
  F  F25  1  0.301  0.036  0.363  1.0
  F  F26  1  0.301  0.036  0.637  1.0
  F  F27  1  0.396  0.748  0.500  1.0
  F  F28  1  0.464  0.199  0.137  1.0
  F  F29  1  0.464  0.199  0.863  1.0
  F  F30  1  0.500  0.500  0.306  1.0
  F  F31  1  0.500  0.500  0.694  1.0
  F  F32  1  0.536  0.801  0.137  1.0
  F  F33  1  0.536  0.801  0.863  1.0
  F  F34  1  0.604  0.252  0.500  1.0
  F  F35  1  0.699  0.964  0.363  1.0
  F  F36  1  0.699  0.964  0.637  1.0
  F  F37  1  0.748  0.604  0.500  1.0
  F  F38  1  0.752  0.104  0.000  1.0
  F  F39  1  0.801  0.464  0.137  1.0
  F  F40  1  0.801  0.464  0.863  1.0
  F  F41  1  0.896  0.752  0.000  1.0
  F  F42  1  0.964  0.301  0.363  1.0
  F  F43  1  0.964  0.301  0.637  1.0
[/CIF]
.