The material structure described by Li2Cu2F5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with five equivalent Li(2)F6 octahedra,  a cornercorner with one Cu(1)F5 trigonal bipyramid, corners with two equivalent Cu(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Cu(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-59°. In the second Li site, Li(2) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with five equivalent Li(1)F6 octahedra,  a cornercorner with one Cu(2)F5 trigonal bipyramid, corners with two equivalent Cu(1)F5 trigonal bipyramids, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Cu(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-59°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(5), and two equivalent F(3) atoms to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Cu(1)F5 trigonal bipyramids, corners with two equivalent Cu(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Cu(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-69°. In the second Cu site, Cu(2) is bonded to one F(1), one F(4), one F(5), and two equivalent F(3) atoms to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(1)F5 trigonal bipyramids, corners with two equivalent Cu(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Cu(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-69°. There are five inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), one Cu(1), and one Cu(2) atom to form FLi2Cu2 tetrahedra that share corners with two equivalent F(3)Li2Cu4 octahedra, corners with two equivalent F(1)Li2Cu2 tetrahedra, corners with three equivalent F(2)Li3Cu tetrahedra, corners with three equivalent F(4)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra,  an edgeedge with one F(5)Li2Cu2 tetrahedra, and  an edgeedge with one F(4)Li3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 35-57°. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one Cu(1) atom to form FLi3Cu tetrahedra that share  a cornercorner with one F(3)Li2Cu4 octahedra, corners with two equivalent F(2)Li3Cu tetrahedra, corners with three equivalent F(1)Li2Cu2 tetrahedra, corners with three equivalent F(5)Li2Cu2 tetrahedra, corners with four equivalent F(4)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra, and  an edgeedge with one F(5)Li2Cu2 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the third F site, F(3) is bonded to one Li(1), one Li(2), two equivalent Cu(1), and two equivalent Cu(2) atoms to form FLi2Cu4 octahedra that share  a cornercorner with one F(2)Li3Cu tetrahedra,  a cornercorner with one F(4)Li3Cu tetrahedra, corners with two equivalent F(1)Li2Cu2 tetrahedra, corners with two equivalent F(5)Li2Cu2 tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra, edges with two equivalent F(1)Li2Cu2 tetrahedra, edges with two equivalent F(5)Li2Cu2 tetrahedra, edges with two equivalent F(2)Li3Cu tetrahedra, and edges with two equivalent F(4)Li3Cu tetrahedra. In the fourth F site, F(4) is bonded to one Li(2), two equivalent Li(1), and one Cu(2) atom to form FLi3Cu tetrahedra that share  a cornercorner with one F(3)Li2Cu4 octahedra, corners with two equivalent F(4)Li3Cu tetrahedra, corners with three equivalent F(1)Li2Cu2 tetrahedra, corners with three equivalent F(5)Li2Cu2 tetrahedra, corners with four equivalent F(2)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra, and  an edgeedge with one F(1)Li2Cu2 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the fifth F site, F(5) is bonded to two equivalent Li(2), one Cu(1), and one Cu(2) atom to form FLi2Cu2 tetrahedra that share corners with two equivalent F(3)Li2Cu4 octahedra, corners with two equivalent F(5)Li2Cu2 tetrahedra, corners with three equivalent F(2)Li3Cu tetrahedra, corners with three equivalent F(4)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra,  an edgeedge with one F(1)Li2Cu2 tetrahedra, and  an edgeedge with one F(2)Li3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 37-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.035
_cell_length_b   10.798
_cell_length_c   12.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.106
_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  0.221  0.535  0.658  1.0
  Li  Li1  1  0.219  0.716  0.010  1.0
  Li  Li2  1  0.719  0.784  0.510  1.0
  Li  Li3  1  0.721  0.965  0.158  1.0
  Li  Li4  1  0.279  0.035  0.658  1.0
  Li  Li5  1  0.281  0.216  0.010  1.0
  Li  Li6  1  0.781  0.284  0.510  1.0
  Li  Li7  1  0.779  0.465  0.158  1.0
  Cu  Cu8  1  0.296  0.504  0.395  1.0
  Cu  Cu9  1  0.186  0.744  0.273  1.0
  Cu  Cu10  1  0.686  0.756  0.773  1.0
  Cu  Cu11  1  0.796  0.996  0.895  1.0
  Cu  Cu12  1  0.204  0.004  0.395  1.0
  Cu  Cu13  1  0.314  0.244  0.273  1.0
  Cu  Cu14  1  0.814  0.256  0.773  1.0
  Cu  Cu15  1  0.704  0.496  0.895  1.0
  F  F16  1  0.285  0.562  0.239  1.0
  F  F17  1  0.739  0.583  0.034  1.0
  F  F18  1  0.235  0.626  0.834  1.0
  F  F19  1  0.713  0.668  0.634  1.0
  F  F20  1  0.206  0.686  0.430  1.0
  F  F21  1  0.706  0.814  0.930  1.0
  F  F22  1  0.213  0.832  0.134  1.0
  F  F23  1  0.735  0.874  0.334  1.0
  F  F24  1  0.239  0.917  0.534  1.0
  F  F25  1  0.785  0.938  0.739  1.0
  F  F26  1  0.215  0.062  0.239  1.0
  F  F27  1  0.761  0.083  0.034  1.0
  F  F28  1  0.265  0.126  0.834  1.0
  F  F29  1  0.787  0.168  0.634  1.0
  F  F30  1  0.294  0.186  0.430  1.0
  F  F31  1  0.794  0.314  0.930  1.0
  F  F32  1  0.287  0.332  0.134  1.0
  F  F33  1  0.765  0.374  0.334  1.0
  F  F34  1  0.261  0.417  0.534  1.0
  F  F35  1  0.715  0.438  0.739  1.0
[/CIF]
.
The material structure described by Li2Cu2F5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with five equivalent Li(2)F6 octahedra,  a cornercorner with one Cu(1)F5 trigonal bipyramid, corners with two equivalent Cu(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Cu(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-59°. In the second Li site, Li(2) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with five equivalent Li(1)F6 octahedra,  a cornercorner with one Cu(2)F5 trigonal bipyramid, corners with two equivalent Cu(1)F5 trigonal bipyramids, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Cu(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-59°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(5), and two equivalent F(3) atoms to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Cu(1)F5 trigonal bipyramids, corners with two equivalent Cu(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Cu(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-69°. In the second Cu site, Cu(2) is bonded to one F(1), one F(4), one F(5), and two equivalent F(3) atoms to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Li(2)F6 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(1)F5 trigonal bipyramids, corners with two equivalent Cu(2)F5 trigonal bipyramids, edges with two equivalent Li(1)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Cu(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-69°. There are five inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), one Cu(1), and one Cu(2) atom to form FLi2Cu2 tetrahedra that share corners with two equivalent F(3)Li2Cu4 octahedra, corners with two equivalent F(1)Li2Cu2 tetrahedra, corners with three equivalent F(2)Li3Cu tetrahedra, corners with three equivalent F(4)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra,  an edgeedge with one F(5)Li2Cu2 tetrahedra, and  an edgeedge with one F(4)Li3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 35-57°. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one Cu(1) atom to form FLi3Cu tetrahedra that share  a cornercorner with one F(3)Li2Cu4 octahedra, corners with two equivalent F(2)Li3Cu tetrahedra, corners with three equivalent F(1)Li2Cu2 tetrahedra, corners with three equivalent F(5)Li2Cu2 tetrahedra, corners with four equivalent F(4)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra, and  an edgeedge with one F(5)Li2Cu2 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the third F site, F(3) is bonded to one Li(1), one Li(2), two equivalent Cu(1), and two equivalent Cu(2) atoms to form FLi2Cu4 octahedra that share  a cornercorner with one F(2)Li3Cu tetrahedra,  a cornercorner with one F(4)Li3Cu tetrahedra, corners with two equivalent F(1)Li2Cu2 tetrahedra, corners with two equivalent F(5)Li2Cu2 tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra, edges with two equivalent F(1)Li2Cu2 tetrahedra, edges with two equivalent F(5)Li2Cu2 tetrahedra, edges with two equivalent F(2)Li3Cu tetrahedra, and edges with two equivalent F(4)Li3Cu tetrahedra. In the fourth F site, F(4) is bonded to one Li(2), two equivalent Li(1), and one Cu(2) atom to form FLi3Cu tetrahedra that share  a cornercorner with one F(3)Li2Cu4 octahedra, corners with two equivalent F(4)Li3Cu tetrahedra, corners with three equivalent F(1)Li2Cu2 tetrahedra, corners with three equivalent F(5)Li2Cu2 tetrahedra, corners with four equivalent F(2)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra, and  an edgeedge with one F(1)Li2Cu2 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the fifth F site, F(5) is bonded to two equivalent Li(2), one Cu(1), and one Cu(2) atom to form FLi2Cu2 tetrahedra that share corners with two equivalent F(3)Li2Cu4 octahedra, corners with two equivalent F(5)Li2Cu2 tetrahedra, corners with three equivalent F(2)Li3Cu tetrahedra, corners with three equivalent F(4)Li3Cu tetrahedra, edges with two equivalent F(3)Li2Cu4 octahedra,  an edgeedge with one F(1)Li2Cu2 tetrahedra, and  an edgeedge with one F(2)Li3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 37-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.035
_cell_length_b   10.798
_cell_length_c   12.208
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.106
_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  0.221  0.535  0.658  1.0
  Li  Li1  1  0.219  0.716  0.010  1.0
  Li  Li2  1  0.719  0.784  0.510  1.0
  Li  Li3  1  0.721  0.965  0.158  1.0
  Li  Li4  1  0.279  0.035  0.658  1.0
  Li  Li5  1  0.281  0.216  0.010  1.0
  Li  Li6  1  0.781  0.284  0.510  1.0
  Li  Li7  1  0.779  0.465  0.158  1.0
  Cu  Cu8  1  0.296  0.504  0.395  1.0
  Cu  Cu9  1  0.186  0.744  0.273  1.0
  Cu  Cu10  1  0.686  0.756  0.773  1.0
  Cu  Cu11  1  0.796  0.996  0.895  1.0
  Cu  Cu12  1  0.204  0.004  0.395  1.0
  Cu  Cu13  1  0.314  0.244  0.273  1.0
  Cu  Cu14  1  0.814  0.256  0.773  1.0
  Cu  Cu15  1  0.704  0.496  0.895  1.0
  F  F16  1  0.285  0.562  0.239  1.0
  F  F17  1  0.739  0.583  0.034  1.0
  F  F18  1  0.235  0.626  0.834  1.0
  F  F19  1  0.713  0.668  0.634  1.0
  F  F20  1  0.206  0.686  0.430  1.0
  F  F21  1  0.706  0.814  0.930  1.0
  F  F22  1  0.213  0.832  0.134  1.0
  F  F23  1  0.735  0.874  0.334  1.0
  F  F24  1  0.239  0.917  0.534  1.0
  F  F25  1  0.785  0.938  0.739  1.0
  F  F26  1  0.215  0.062  0.239  1.0
  F  F27  1  0.761  0.083  0.034  1.0
  F  F28  1  0.265  0.126  0.834  1.0
  F  F29  1  0.787  0.168  0.634  1.0
  F  F30  1  0.294  0.186  0.430  1.0
  F  F31  1  0.794  0.314  0.930  1.0
  F  F32  1  0.287  0.332  0.134  1.0
  F  F33  1  0.765  0.374  0.334  1.0
  F  F34  1  0.261  0.417  0.534  1.0
  F  F35  1  0.715  0.438  0.739  1.0
[/CIF]
.