The material structure described by Li6Cu5F14 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(5), and two equivalent F(2) atoms to form distorted corner-sharing LiF4 tetrahedra. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(6), and one F(7) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra, and  a cornercorner with one Cu(3)F4 trigonal pyramid. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one F(1), one F(4), one F(6), and one F(9) atom. In the fourth Li site, Li(4) is bonded to one F(5), one F(8), and two equivalent F(7) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  a cornercorner with one Cu(3)F4 trigonal pyramid, and  an edgeedge with one Cu(3)F4 trigonal pyramid. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(4), one F(6), and one F(8) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the third Cu site, Cu(3) is bonded to one F(8), one F(9), and two equivalent F(7) atoms to form distorted CuF4 trigonal pyramids that share  a cornercorner with one Li(4)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, and  an edgeedge with one Li(4)F4 tetrahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FLi2Cu2 trigonal pyramids. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FLi2Cu2 tetrahedra. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(1), and one Cu(2) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), and two equivalent Cu(2) atoms. In the sixth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cu(1), and one Cu(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(4), and one Cu(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one Li(4), one Cu(3), and two equivalent Cu(1) atoms. In the ninth F site, F(9) is bonded in a trigonal planar geometry to two equivalent Li(3) and one Cu(3) atom. is represented by the CIF file [CIF]
data_Li6Cu5F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.861
_cell_length_b   7.861
_cell_length_c   9.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.216
_symmetry_Int_Tables_number   1
_cell_volume   609.354
_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  0.011  0.011  0.961  1.0
  Li  Li1  1  0.176  0.666  0.471  1.0
  Li  Li2  1  0.205  0.500  0.012  1.0
  Li  Li3  1  0.316  0.316  0.449  1.0
  Li  Li4  1  0.334  0.824  0.971  1.0
  Li  Li5  1  0.500  0.795  0.512  1.0
  Li  Li6  1  0.500  0.205  0.012  1.0
  Li  Li7  1  0.666  0.176  0.471  1.0
  Li  Li8  1  0.684  0.684  0.949  1.0
  Li  Li9  1  0.795  0.500  0.512  1.0
  Li  Li10  1  0.824  0.334  0.971  1.0
  Li  Li11  1  0.989  0.989  0.461  1.0
  Cu  Cu12  1  0.015  0.373  0.712  1.0
  Cu  Cu13  1  0.043  0.756  0.747  1.0
  Cu  Cu14  1  0.244  0.957  0.247  1.0
  Cu  Cu15  1  0.373  0.015  0.712  1.0
  Cu  Cu16  1  0.489  0.489  0.738  1.0
  Cu  Cu17  1  0.511  0.511  0.238  1.0
  Cu  Cu18  1  0.627  0.985  0.212  1.0
  Cu  Cu19  1  0.756  0.043  0.747  1.0
  Cu  Cu20  1  0.957  0.244  0.247  1.0
  Cu  Cu21  1  0.985  0.627  0.212  1.0
  F  F22  1  0.006  0.580  0.590  1.0
  F  F23  1  0.048  0.799  0.352  1.0
  F  F24  1  0.062  0.062  0.140  1.0
  F  F25  1  0.133  0.547  0.832  1.0
  F  F26  1  0.150  0.150  0.391  1.0
  F  F27  1  0.168  0.722  0.089  1.0
  F  F28  1  0.201  0.952  0.852  1.0
  F  F29  1  0.278  0.832  0.589  1.0
  F  F30  1  0.290  0.526  0.359  1.0
  F  F31  1  0.325  0.325  0.649  1.0
  F  F32  1  0.420  0.994  0.090  1.0
  F  F33  1  0.407  0.407  0.066  1.0
  F  F34  1  0.453  0.867  0.332  1.0
  F  F35  1  0.474  0.710  0.859  1.0
  F  F36  1  0.526  0.290  0.359  1.0
  F  F37  1  0.547  0.133  0.832  1.0
  F  F38  1  0.593  0.593  0.566  1.0
  F  F39  1  0.580  0.006  0.590  1.0
  F  F40  1  0.675  0.675  0.149  1.0
  F  F41  1  0.710  0.474  0.859  1.0
  F  F42  1  0.722  0.168  0.089  1.0
  F  F43  1  0.799  0.048  0.352  1.0
  F  F44  1  0.832  0.278  0.589  1.0
  F  F45  1  0.850  0.850  0.891  1.0
  F  F46  1  0.867  0.453  0.332  1.0
  F  F47  1  0.938  0.938  0.640  1.0
  F  F48  1  0.952  0.201  0.852  1.0
  F  F49  1  0.994  0.420  0.090  1.0
[/CIF]
.
The material structure described by Li6Cu5F14 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(5), and two equivalent F(2) atoms to form distorted corner-sharing LiF4 tetrahedra. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(6), and one F(7) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)F4 tetrahedra, and  a cornercorner with one Cu(3)F4 trigonal pyramid. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one F(1), one F(4), one F(6), and one F(9) atom. In the fourth Li site, Li(4) is bonded to one F(5), one F(8), and two equivalent F(7) atoms to form LiF4 tetrahedra that share  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  a cornercorner with one Cu(3)F4 trigonal pyramid, and  an edgeedge with one Cu(3)F4 trigonal pyramid. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(4), one F(6), and one F(8) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the third Cu site, Cu(3) is bonded to one F(8), one F(9), and two equivalent F(7) atoms to form distorted CuF4 trigonal pyramids that share  a cornercorner with one Li(4)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, and  an edgeedge with one Li(4)F4 tetrahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FLi2Cu2 trigonal pyramids. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FLi2Cu2 tetrahedra. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(1), and one Cu(2) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), and two equivalent Cu(2) atoms. In the sixth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cu(1), and one Cu(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(4), and one Cu(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one Li(4), one Cu(3), and two equivalent Cu(1) atoms. In the ninth F site, F(9) is bonded in a trigonal planar geometry to two equivalent Li(3) and one Cu(3) atom. is represented by the CIF file [CIF]
data_Li6Cu5F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.861
_cell_length_b   7.861
_cell_length_c   9.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.216
_symmetry_Int_Tables_number   1
_cell_volume   609.354
_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  0.011  0.011  0.961  1.0
  Li  Li1  1  0.176  0.666  0.471  1.0
  Li  Li2  1  0.205  0.500  0.012  1.0
  Li  Li3  1  0.316  0.316  0.449  1.0
  Li  Li4  1  0.334  0.824  0.971  1.0
  Li  Li5  1  0.500  0.795  0.512  1.0
  Li  Li6  1  0.500  0.205  0.012  1.0
  Li  Li7  1  0.666  0.176  0.471  1.0
  Li  Li8  1  0.684  0.684  0.949  1.0
  Li  Li9  1  0.795  0.500  0.512  1.0
  Li  Li10  1  0.824  0.334  0.971  1.0
  Li  Li11  1  0.989  0.989  0.461  1.0
  Cu  Cu12  1  0.015  0.373  0.712  1.0
  Cu  Cu13  1  0.043  0.756  0.747  1.0
  Cu  Cu14  1  0.244  0.957  0.247  1.0
  Cu  Cu15  1  0.373  0.015  0.712  1.0
  Cu  Cu16  1  0.489  0.489  0.738  1.0
  Cu  Cu17  1  0.511  0.511  0.238  1.0
  Cu  Cu18  1  0.627  0.985  0.212  1.0
  Cu  Cu19  1  0.756  0.043  0.747  1.0
  Cu  Cu20  1  0.957  0.244  0.247  1.0
  Cu  Cu21  1  0.985  0.627  0.212  1.0
  F  F22  1  0.006  0.580  0.590  1.0
  F  F23  1  0.048  0.799  0.352  1.0
  F  F24  1  0.062  0.062  0.140  1.0
  F  F25  1  0.133  0.547  0.832  1.0
  F  F26  1  0.150  0.150  0.391  1.0
  F  F27  1  0.168  0.722  0.089  1.0
  F  F28  1  0.201  0.952  0.852  1.0
  F  F29  1  0.278  0.832  0.589  1.0
  F  F30  1  0.290  0.526  0.359  1.0
  F  F31  1  0.325  0.325  0.649  1.0
  F  F32  1  0.420  0.994  0.090  1.0
  F  F33  1  0.407  0.407  0.066  1.0
  F  F34  1  0.453  0.867  0.332  1.0
  F  F35  1  0.474  0.710  0.859  1.0
  F  F36  1  0.526  0.290  0.359  1.0
  F  F37  1  0.547  0.133  0.832  1.0
  F  F38  1  0.593  0.593  0.566  1.0
  F  F39  1  0.580  0.006  0.590  1.0
  F  F40  1  0.675  0.675  0.149  1.0
  F  F41  1  0.710  0.474  0.859  1.0
  F  F42  1  0.722  0.168  0.089  1.0
  F  F43  1  0.799  0.048  0.352  1.0
  F  F44  1  0.832  0.278  0.589  1.0
  F  F45  1  0.850  0.850  0.891  1.0
  F  F46  1  0.867  0.453  0.332  1.0
  F  F47  1  0.938  0.938  0.640  1.0
  F  F48  1  0.952  0.201  0.852  1.0
  F  F49  1  0.994  0.420  0.090  1.0
[/CIF]
.