The crystal structure described by Li2Cu2F7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(7), one F(9), and two equivalent F(2) atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(3)F6 octahedra, corners with two equivalent Li(1)F5 trigonal bipyramids, and  an edgeedge with one Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-71°. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one F(1), one F(10), one F(4), and one F(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(13), one F(14), one F(5), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one F(7), one F(9), and two equivalent F(12) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(4), one F(6), and two equivalent F(5) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 33-45°. In the second Cu site, Cu(2) is bonded to one F(1), one F(11), one F(2), one F(3), one F(6), and one F(7) atom to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(3)F6 octahedra, corners with two equivalent Li(1)F5 trigonal bipyramids, and  an edgeedge with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-43°. In the third Cu site, Cu(3) is bonded to one F(11), one F(12), one F(13), one F(3), one F(8), and one F(9) atom to form CuF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(4)F6 octahedra, and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-46°. In the fourth Cu site, Cu(4) is bonded to one F(10), one F(13), one F(4), one F(8), and two equivalent F(14) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one Cu(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(3) and two equivalent Cu(1) atoms. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(3), one Cu(1), and one Cu(2) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one Cu(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(3), and one Cu(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one Cu(3) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cu(1), and one Cu(4) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Li(3), one Cu(2), and one Cu(3) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to two equivalent Li(4) and one Cu(3) atom. In the thirteenth F site, F(13) is bonded in a T-shaped geometry to one Li(3), one Cu(3), and one Cu(4) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Li(3) and two equivalent Cu(4) atoms. is represented by the CIF card [CIF]
data_Li2Cu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   7.490
_cell_length_c   12.913
_cell_angle_alpha   82.431
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.483
_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  0.265  0.858  0.556  1.0
  Li  Li1  1  0.775  0.778  0.902  1.0
  Li  Li2  1  0.241  0.709  0.137  1.0
  Li  Li3  1  0.799  0.604  0.428  1.0
  Li  Li4  1  0.299  0.396  0.572  1.0
  Li  Li5  1  0.741  0.291  0.863  1.0
  Li  Li6  1  0.275  0.222  0.098  1.0
  Li  Li7  1  0.765  0.142  0.444  1.0
  Cu  Cu8  1  0.762  0.975  0.106  1.0
  Cu  Cu9  1  0.254  0.920  0.318  1.0
  Cu  Cu10  1  0.770  0.585  0.683  1.0
  Cu  Cu11  1  0.266  0.527  0.891  1.0
  Cu  Cu12  1  0.766  0.473  0.109  1.0
  Cu  Cu13  1  0.270  0.415  0.317  1.0
  Cu  Cu14  1  0.754  0.080  0.682  1.0
  Cu  Cu15  1  0.262  0.025  0.894  1.0
  F  F16  1  0.945  0.982  0.813  1.0
  F  F17  1  0.528  0.944  0.413  1.0
  F  F18  1  0.622  0.834  0.667  1.0
  F  F19  1  0.403  0.773  0.881  1.0
  F  F20  1  0.074  0.928  0.021  1.0
  F  F21  1  0.974  0.879  0.222  1.0
  F  F22  1  0.041  0.821  0.431  1.0
  F  F23  1  0.930  0.610  0.821  1.0
  F  F24  1  0.096  0.633  0.616  1.0
  F  F25  1  0.619  0.722  0.086  1.0
  F  F26  1  0.387  0.679  0.292  1.0
  F  F27  1  0.595  0.563  0.555  1.0
  F  F28  1  0.469  0.482  0.767  1.0
  F  F29  1  0.576  0.431  0.975  1.0
  F  F30  1  0.076  0.569  0.025  1.0
  F  F31  1  0.969  0.518  0.233  1.0
  F  F32  1  0.095  0.437  0.445  1.0
  F  F33  1  0.887  0.321  0.708  1.0
  F  F34  1  0.119  0.278  0.914  1.0
  F  F35  1  0.596  0.367  0.384  1.0
  F  F36  1  0.430  0.390  0.179  1.0
  F  F37  1  0.541  0.179  0.569  1.0
  F  F38  1  0.474  0.121  0.778  1.0
  F  F39  1  0.574  0.072  0.979  1.0
  F  F40  1  0.903  0.227  0.119  1.0
  F  F41  1  0.122  0.166  0.333  1.0
  F  F42  1  0.028  0.056  0.587  1.0
  F  F43  1  0.445  0.018  0.187  1.0
[/CIF]
.
The crystal structure described by Li2Cu2F7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(7), one F(9), and two equivalent F(2) atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(3)F6 octahedra, corners with two equivalent Li(1)F5 trigonal bipyramids, and  an edgeedge with one Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-71°. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one F(1), one F(10), one F(4), and one F(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(13), one F(14), one F(5), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one F(7), one F(9), and two equivalent F(12) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(4), one F(6), and two equivalent F(5) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 33-45°. In the second Cu site, Cu(2) is bonded to one F(1), one F(11), one F(2), one F(3), one F(6), and one F(7) atom to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(3)F6 octahedra, corners with two equivalent Li(1)F5 trigonal bipyramids, and  an edgeedge with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-43°. In the third Cu site, Cu(3) is bonded to one F(11), one F(12), one F(13), one F(3), one F(8), and one F(9) atom to form CuF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(4)F6 octahedra, and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-46°. In the fourth Cu site, Cu(4) is bonded to one F(10), one F(13), one F(4), one F(8), and two equivalent F(14) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one Cu(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(3) and two equivalent Cu(1) atoms. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(3), one Cu(1), and one Cu(2) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one Cu(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(3), and one Cu(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one Cu(3) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cu(1), and one Cu(4) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Li(3), one Cu(2), and one Cu(3) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to two equivalent Li(4) and one Cu(3) atom. In the thirteenth F site, F(13) is bonded in a T-shaped geometry to one Li(3), one Cu(3), and one Cu(4) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Li(3) and two equivalent Cu(4) atoms. is represented by the CIF card [CIF]
data_Li2Cu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   7.490
_cell_length_c   12.913
_cell_angle_alpha   82.431
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.483
_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  0.265  0.858  0.556  1.0
  Li  Li1  1  0.775  0.778  0.902  1.0
  Li  Li2  1  0.241  0.709  0.137  1.0
  Li  Li3  1  0.799  0.604  0.428  1.0
  Li  Li4  1  0.299  0.396  0.572  1.0
  Li  Li5  1  0.741  0.291  0.863  1.0
  Li  Li6  1  0.275  0.222  0.098  1.0
  Li  Li7  1  0.765  0.142  0.444  1.0
  Cu  Cu8  1  0.762  0.975  0.106  1.0
  Cu  Cu9  1  0.254  0.920  0.318  1.0
  Cu  Cu10  1  0.770  0.585  0.683  1.0
  Cu  Cu11  1  0.266  0.527  0.891  1.0
  Cu  Cu12  1  0.766  0.473  0.109  1.0
  Cu  Cu13  1  0.270  0.415  0.317  1.0
  Cu  Cu14  1  0.754  0.080  0.682  1.0
  Cu  Cu15  1  0.262  0.025  0.894  1.0
  F  F16  1  0.945  0.982  0.813  1.0
  F  F17  1  0.528  0.944  0.413  1.0
  F  F18  1  0.622  0.834  0.667  1.0
  F  F19  1  0.403  0.773  0.881  1.0
  F  F20  1  0.074  0.928  0.021  1.0
  F  F21  1  0.974  0.879  0.222  1.0
  F  F22  1  0.041  0.821  0.431  1.0
  F  F23  1  0.930  0.610  0.821  1.0
  F  F24  1  0.096  0.633  0.616  1.0
  F  F25  1  0.619  0.722  0.086  1.0
  F  F26  1  0.387  0.679  0.292  1.0
  F  F27  1  0.595  0.563  0.555  1.0
  F  F28  1  0.469  0.482  0.767  1.0
  F  F29  1  0.576  0.431  0.975  1.0
  F  F30  1  0.076  0.569  0.025  1.0
  F  F31  1  0.969  0.518  0.233  1.0
  F  F32  1  0.095  0.437  0.445  1.0
  F  F33  1  0.887  0.321  0.708  1.0
  F  F34  1  0.119  0.278  0.914  1.0
  F  F35  1  0.596  0.367  0.384  1.0
  F  F36  1  0.430  0.390  0.179  1.0
  F  F37  1  0.541  0.179  0.569  1.0
  F  F38  1  0.474  0.121  0.778  1.0
  F  F39  1  0.574  0.072  0.979  1.0
  F  F40  1  0.903  0.227  0.119  1.0
  F  F41  1  0.122  0.166  0.333  1.0
  F  F42  1  0.028  0.056  0.587  1.0
  F  F43  1  0.445  0.018  0.187  1.0
[/CIF]
.