The material described by Li4Cu5F17 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(12), one F(4), one F(5), and one F(9) atom to form distorted LiF4 trigonal pyramids that share  a cornercorner with one Cu(4)F6 octahedra, corners with two equivalent Cu(3)F6 octahedra, and corners with three equivalent Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(2), and one F(6) atom to form LiF4 tetrahedra that share  a cornercorner with one Cu(2)F6 octahedra,  a cornercorner with one Cu(4)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra, and  a cornercorner with one Li(4)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the third Li site, Li(3) is bonded to one F(14), one F(16), one F(3), and one F(7) atom to form LiF4 trigonal pyramids that share  a cornercorner with one Cu(1)F6 octahedra,  a cornercorner with one Cu(3)F6 octahedra,  a cornercorner with one Cu(4)F6 octahedra, corners with three equivalent Cu(2)F6 octahedra, and  a cornercorner with one Li(4)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the fourth Li site, Li(4) is bonded to one F(16), one F(17), one F(2), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Cu(3)F6 octahedra,  a cornercorner with one Cu(4)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, and  a cornercorner with one Li(3)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-63°. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(15), one F(17), one F(2), and one F(3) atom to form CuF6 octahedra that share  a cornercorner with one Cu(5)F6 octahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 trigonal pyramid,  an edgeedge with one Cu(2)F6 octahedra, and  an edgeedge with one Cu(4)F6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Cu site, Cu(2) is bonded to one F(10), one F(13), one F(16), one F(3), one F(7), and one F(8) atom to form CuF6 octahedra that share  a cornercorner with one Cu(5)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(3)F4 trigonal pyramids,  an edgeedge with one Cu(1)F6 octahedra, and  an edgeedge with one Cu(3)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Cu site, Cu(3) is bonded to one F(11), one F(12), one F(13), one F(14), one F(4), and one F(8) atom to form CuF6 octahedra that share  a cornercorner with one Cu(4)F6 octahedra,  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)F4 trigonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Cu(2)F6 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fourth Cu site, Cu(4) is bonded to one F(11), one F(12), one F(14), one F(15), one F(17), and one F(6) atom to form CuF6 octahedra that share  a cornercorner with one Cu(3)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(1)F4 trigonal pyramid,  a cornercorner with one Li(3)F4 trigonal pyramid,  an edgeedge with one Cu(1)F6 octahedra,  an edgeedge with one Cu(3)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fifth Cu site, Cu(5) is bonded to one F(11), one F(13), one F(15), one F(9), and two equivalent F(5) atoms to form CuF6 octahedra that share  a cornercorner with one Cu(1)F6 octahedra,  a cornercorner with one Cu(2)F6 octahedra, corners with three equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Cu(3)F6 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Cu(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(5) atoms. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(3) and one Cu(2) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(4), one Cu(2), and one Cu(3) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(5) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the thirteenth F site, F(13) is bonded in a T-shaped geometry to one Cu(2), one Cu(3), and one Cu(5) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Li(3), one Cu(3), and one Cu(4) atom. In the fifteenth F site, F(15) is bonded in a T-shaped geometry to one Cu(1), one Cu(4), and one Cu(5) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Cu(2) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Cu(1), and one Cu(4) atom. is represented by the CIF card [CIF]
data_Li4Cu5F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   9.497
_cell_length_c   11.378
_cell_angle_alpha   103.388
_cell_angle_beta   94.938
_cell_angle_gamma   109.509
_symmetry_Int_Tables_number   1
_cell_volume   629.191
_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  0.744  0.765  0.032  1.0
  Li  Li1  1  0.686  0.931  0.357  1.0
  Li  Li2  1  0.209  0.417  0.325  1.0
  Li  Li3  1  0.077  0.280  0.552  1.0
  Li  Li4  1  0.923  0.720  0.448  1.0
  Li  Li5  1  0.791  0.583  0.675  1.0
  Li  Li6  1  0.314  0.069  0.643  1.0
  Li  Li7  1  0.256  0.235  0.968  1.0
  Cu  Cu8  1  0.773  0.958  0.656  1.0
  Cu  Cu9  1  0.335  0.686  0.621  1.0
  Cu  Cu10  1  0.248  0.549  0.840  1.0
  Cu  Cu11  1  0.191  0.715  0.194  1.0
  Cu  Cu12  1  0.279  0.874  0.985  1.0
  Cu  Cu13  1  0.721  0.126  0.015  1.0
  Cu  Cu14  1  0.809  0.285  0.806  1.0
  Cu  Cu15  1  0.752  0.451  0.160  1.0
  Cu  Cu16  1  0.665  0.314  0.379  1.0
  Cu  Cu17  1  0.227  0.042  0.344  1.0
  F  F18  1  0.931  0.001  0.280  1.0
  F  F19  1  0.792  0.870  0.490  1.0
  F  F20  1  0.660  0.745  0.678  1.0
  F  F21  1  0.546  0.594  0.896  1.0
  F  F22  1  0.599  0.917  0.034  1.0
  F  F23  1  0.491  0.754  0.239  1.0
  F  F24  1  0.355  0.604  0.457  1.0
  F  F25  1  0.268  0.485  0.657  1.0
  F  F26  1  0.021  0.167  0.055  1.0
  F  F27  1  0.443  0.903  0.610  1.0
  F  F28  1  0.216  0.661  0.008  1.0
  F  F29  1  0.132  0.339  0.859  1.0
  F  F30  1  0.310  0.750  0.801  1.0
  F  F31  1  0.078  0.505  0.214  1.0
  F  F32  1  0.259  0.929  0.178  1.0
  F  F33  1  0.967  0.334  0.416  1.0
  F  F34  1  0.158  0.837  0.371  1.0
  F  F35  1  0.842  0.163  0.629  1.0
  F  F36  1  0.033  0.666  0.584  1.0
  F  F37  1  0.741  0.071  0.822  1.0
  F  F38  1  0.922  0.495  0.786  1.0
  F  F39  1  0.690  0.250  0.199  1.0
  F  F40  1  0.868  0.661  0.141  1.0
  F  F41  1  0.784  0.339  0.992  1.0
  F  F42  1  0.557  0.097  0.390  1.0
  F  F43  1  0.979  0.833  0.945  1.0
  F  F44  1  0.732  0.515  0.343  1.0
  F  F45  1  0.645  0.396  0.543  1.0
  F  F46  1  0.509  0.246  0.761  1.0
  F  F47  1  0.401  0.083  0.966  1.0
  F  F48  1  0.454  0.406  0.104  1.0
  F  F49  1  0.340  0.255  0.322  1.0
  F  F50  1  0.208  0.130  0.510  1.0
  F  F51  1  0.069  0.999  0.720  1.0
[/CIF]
.
The material described by Li4Cu5F17 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(12), one F(4), one F(5), and one F(9) atom to form distorted LiF4 trigonal pyramids that share  a cornercorner with one Cu(4)F6 octahedra, corners with two equivalent Cu(3)F6 octahedra, and corners with three equivalent Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(2), and one F(6) atom to form LiF4 tetrahedra that share  a cornercorner with one Cu(2)F6 octahedra,  a cornercorner with one Cu(4)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra, and  a cornercorner with one Li(4)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the third Li site, Li(3) is bonded to one F(14), one F(16), one F(3), and one F(7) atom to form LiF4 trigonal pyramids that share  a cornercorner with one Cu(1)F6 octahedra,  a cornercorner with one Cu(3)F6 octahedra,  a cornercorner with one Cu(4)F6 octahedra, corners with three equivalent Cu(2)F6 octahedra, and  a cornercorner with one Li(4)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the fourth Li site, Li(4) is bonded to one F(16), one F(17), one F(2), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Cu(3)F6 octahedra,  a cornercorner with one Cu(4)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, and  a cornercorner with one Li(3)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-63°. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(15), one F(17), one F(2), and one F(3) atom to form CuF6 octahedra that share  a cornercorner with one Cu(5)F6 octahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra,  a cornercorner with one Li(3)F4 trigonal pyramid,  an edgeedge with one Cu(2)F6 octahedra, and  an edgeedge with one Cu(4)F6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Cu site, Cu(2) is bonded to one F(10), one F(13), one F(16), one F(3), one F(7), and one F(8) atom to form CuF6 octahedra that share  a cornercorner with one Cu(5)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(3)F4 trigonal pyramids,  an edgeedge with one Cu(1)F6 octahedra, and  an edgeedge with one Cu(3)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Cu site, Cu(3) is bonded to one F(11), one F(12), one F(13), one F(14), one F(4), and one F(8) atom to form CuF6 octahedra that share  a cornercorner with one Cu(4)F6 octahedra,  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)F4 trigonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Cu(2)F6 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fourth Cu site, Cu(4) is bonded to one F(11), one F(12), one F(14), one F(15), one F(17), and one F(6) atom to form CuF6 octahedra that share  a cornercorner with one Cu(3)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(1)F4 trigonal pyramid,  a cornercorner with one Li(3)F4 trigonal pyramid,  an edgeedge with one Cu(1)F6 octahedra,  an edgeedge with one Cu(3)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fifth Cu site, Cu(5) is bonded to one F(11), one F(13), one F(15), one F(9), and two equivalent F(5) atoms to form CuF6 octahedra that share  a cornercorner with one Cu(1)F6 octahedra,  a cornercorner with one Cu(2)F6 octahedra, corners with three equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one Cu(3)F6 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Cu(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(5) atoms. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(3) and one Cu(2) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(4), one Cu(2), and one Cu(3) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(5) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the thirteenth F site, F(13) is bonded in a T-shaped geometry to one Cu(2), one Cu(3), and one Cu(5) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Li(3), one Cu(3), and one Cu(4) atom. In the fifteenth F site, F(15) is bonded in a T-shaped geometry to one Cu(1), one Cu(4), and one Cu(5) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Cu(2) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Cu(1), and one Cu(4) atom. is represented by the CIF card [CIF]
data_Li4Cu5F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   9.497
_cell_length_c   11.378
_cell_angle_alpha   103.388
_cell_angle_beta   94.938
_cell_angle_gamma   109.509
_symmetry_Int_Tables_number   1
_cell_volume   629.191
_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  0.744  0.765  0.032  1.0
  Li  Li1  1  0.686  0.931  0.357  1.0
  Li  Li2  1  0.209  0.417  0.325  1.0
  Li  Li3  1  0.077  0.280  0.552  1.0
  Li  Li4  1  0.923  0.720  0.448  1.0
  Li  Li5  1  0.791  0.583  0.675  1.0
  Li  Li6  1  0.314  0.069  0.643  1.0
  Li  Li7  1  0.256  0.235  0.968  1.0
  Cu  Cu8  1  0.773  0.958  0.656  1.0
  Cu  Cu9  1  0.335  0.686  0.621  1.0
  Cu  Cu10  1  0.248  0.549  0.840  1.0
  Cu  Cu11  1  0.191  0.715  0.194  1.0
  Cu  Cu12  1  0.279  0.874  0.985  1.0
  Cu  Cu13  1  0.721  0.126  0.015  1.0
  Cu  Cu14  1  0.809  0.285  0.806  1.0
  Cu  Cu15  1  0.752  0.451  0.160  1.0
  Cu  Cu16  1  0.665  0.314  0.379  1.0
  Cu  Cu17  1  0.227  0.042  0.344  1.0
  F  F18  1  0.931  0.001  0.280  1.0
  F  F19  1  0.792  0.870  0.490  1.0
  F  F20  1  0.660  0.745  0.678  1.0
  F  F21  1  0.546  0.594  0.896  1.0
  F  F22  1  0.599  0.917  0.034  1.0
  F  F23  1  0.491  0.754  0.239  1.0
  F  F24  1  0.355  0.604  0.457  1.0
  F  F25  1  0.268  0.485  0.657  1.0
  F  F26  1  0.021  0.167  0.055  1.0
  F  F27  1  0.443  0.903  0.610  1.0
  F  F28  1  0.216  0.661  0.008  1.0
  F  F29  1  0.132  0.339  0.859  1.0
  F  F30  1  0.310  0.750  0.801  1.0
  F  F31  1  0.078  0.505  0.214  1.0
  F  F32  1  0.259  0.929  0.178  1.0
  F  F33  1  0.967  0.334  0.416  1.0
  F  F34  1  0.158  0.837  0.371  1.0
  F  F35  1  0.842  0.163  0.629  1.0
  F  F36  1  0.033  0.666  0.584  1.0
  F  F37  1  0.741  0.071  0.822  1.0
  F  F38  1  0.922  0.495  0.786  1.0
  F  F39  1  0.690  0.250  0.199  1.0
  F  F40  1  0.868  0.661  0.141  1.0
  F  F41  1  0.784  0.339  0.992  1.0
  F  F42  1  0.557  0.097  0.390  1.0
  F  F43  1  0.979  0.833  0.945  1.0
  F  F44  1  0.732  0.515  0.343  1.0
  F  F45  1  0.645  0.396  0.543  1.0
  F  F46  1  0.509  0.246  0.761  1.0
  F  F47  1  0.401  0.083  0.966  1.0
  F  F48  1  0.454  0.406  0.104  1.0
  F  F49  1  0.340  0.255  0.322  1.0
  F  F50  1  0.208  0.130  0.510  1.0
  F  F51  1  0.069  0.999  0.720  1.0
[/CIF]
.