The crystal structure described by Li2Cu2F7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(5), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form CuF6 octahedra that share  a cornercorner with one Cu(2)F6 octahedra, corners with three equivalent Li(2)F4 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, and edges with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Cu site, Cu(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(7) atoms to form CuF6 octahedra that share  a cornercorner with one Cu(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Cu(2)F6 octahedra, and edges with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a distorted 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 trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one Cu(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Li2Cu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.198
_cell_length_b   6.716
_cell_length_c   8.521
_cell_angle_alpha   108.854
_cell_angle_beta   103.443
_cell_angle_gamma   86.486
_symmetry_Int_Tables_number   1
_cell_volume   273.769
_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  0.680  0.243  0.906  1.0
  Li  Li1  1  0.134  0.011  0.740  1.0
  Li  Li2  1  0.866  0.989  0.260  1.0
  Li  Li3  1  0.320  0.757  0.094  1.0
  Cu  Cu4  1  0.710  0.715  0.819  1.0
  Cu  Cu5  1  0.185  0.479  0.668  1.0
  Cu  Cu6  1  0.815  0.521  0.332  1.0
  Cu  Cu7  1  0.290  0.285  0.181  1.0
  F  F8  1  0.364  0.183  0.955  1.0
  F  F9  1  0.058  0.623  0.898  1.0
  F  F10  1  0.550  0.432  0.777  1.0
  F  F11  1  0.068  0.209  0.623  1.0
  F  F12  1  0.343  0.754  0.706  1.0
  F  F13  1  0.826  0.979  0.816  1.0
  F  F14  1  0.822  0.585  0.590  1.0
  F  F15  1  0.178  0.415  0.410  1.0
  F  F16  1  0.174  0.021  0.184  1.0
  F  F17  1  0.657  0.246  0.294  1.0
  F  F18  1  0.932  0.791  0.377  1.0
  F  F19  1  0.450  0.568  0.223  1.0
  F  F20  1  0.942  0.377  0.102  1.0
  F  F21  1  0.636  0.817  0.045  1.0
[/CIF]
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The crystal structure described by Li2Cu2F7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(5), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form CuF6 octahedra that share  a cornercorner with one Cu(2)F6 octahedra, corners with three equivalent Li(2)F4 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, and edges with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Cu site, Cu(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(7) atoms to form CuF6 octahedra that share  a cornercorner with one Cu(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Cu(2)F6 octahedra, and edges with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a distorted 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 trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one Cu(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Li2Cu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.198
_cell_length_b   6.716
_cell_length_c   8.521
_cell_angle_alpha   108.854
_cell_angle_beta   103.443
_cell_angle_gamma   86.486
_symmetry_Int_Tables_number   1
_cell_volume   273.769
_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  0.680  0.243  0.906  1.0
  Li  Li1  1  0.134  0.011  0.740  1.0
  Li  Li2  1  0.866  0.989  0.260  1.0
  Li  Li3  1  0.320  0.757  0.094  1.0
  Cu  Cu4  1  0.710  0.715  0.819  1.0
  Cu  Cu5  1  0.185  0.479  0.668  1.0
  Cu  Cu6  1  0.815  0.521  0.332  1.0
  Cu  Cu7  1  0.290  0.285  0.181  1.0
  F  F8  1  0.364  0.183  0.955  1.0
  F  F9  1  0.058  0.623  0.898  1.0
  F  F10  1  0.550  0.432  0.777  1.0
  F  F11  1  0.068  0.209  0.623  1.0
  F  F12  1  0.343  0.754  0.706  1.0
  F  F13  1  0.826  0.979  0.816  1.0
  F  F14  1  0.822  0.585  0.590  1.0
  F  F15  1  0.178  0.415  0.410  1.0
  F  F16  1  0.174  0.021  0.184  1.0
  F  F17  1  0.657  0.246  0.294  1.0
  F  F18  1  0.932  0.791  0.377  1.0
  F  F19  1  0.450  0.568  0.223  1.0
  F  F20  1  0.942  0.377  0.102  1.0
  F  F21  1  0.636  0.817  0.045  1.0
[/CIF]
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