The material 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 in a 5-coordinate geometry to one F(1), one F(2), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(5), one F(6), and two equivalent F(7) atoms to form distorted LiF6 octahedra that share  a cornercorner with one Cu(2)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Cu(1)F6 octahedra, and edges with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(4), one F(7), and two equivalent F(3) atoms to form CuF6 octahedra that share  a cornercorner with one Cu(2)F6 octahedra, corners with two equivalent Li(2)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Cu(1)F6 octahedra, and edges with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-21°. In the second Cu site, Cu(2) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form CuF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Cu(1)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Cu(2) and two equivalent Cu(1) atoms. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Cu(2) atom. In the seventh F site, F(7) is bonded to two equivalent Li(2), one Cu(1), and one Cu(2) atom to form distorted edge-sharing FLi2Cu2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Cu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   6.446
_cell_length_c   8.705
_cell_angle_alpha   72.422
_cell_angle_beta   74.169
_cell_angle_gamma   84.703
_symmetry_Int_Tables_number   1
_cell_volume   274.469
_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  0.093  0.411  0.266  1.0
  Li  Li1  1  0.545  0.241  0.359  1.0
  Li  Li2  1  0.455  0.759  0.641  1.0
  Li  Li3  1  0.907  0.589  0.734  1.0
  Cu  Cu4  1  0.304  0.007  0.171  1.0
  Cu  Cu5  1  0.788  0.790  0.304  1.0
  Cu  Cu6  1  0.212  0.210  0.696  1.0
  Cu  Cu7  1  0.696  0.993  0.829  1.0
  F  F8  1  0.404  0.281  0.160  1.0
  F  F9  1  0.152  0.732  0.201  1.0
  F  F10  1  0.674  0.908  0.088  1.0
  F  F11  1  0.935  0.085  0.261  1.0
  F  F12  1  0.735  0.501  0.302  1.0
  F  F13  1  0.182  0.299  0.471  1.0
  F  F14  1  0.445  0.889  0.395  1.0
  F  F15  1  0.555  0.111  0.605  1.0
  F  F16  1  0.818  0.701  0.529  1.0
  F  F17  1  0.265  0.499  0.698  1.0
  F  F18  1  0.065  0.915  0.739  1.0
  F  F19  1  0.326  0.092  0.912  1.0
  F  F20  1  0.848  0.268  0.799  1.0
  F  F21  1  0.596  0.719  0.840  1.0
[/CIF]
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The material 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 in a 5-coordinate geometry to one F(1), one F(2), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(5), one F(6), and two equivalent F(7) atoms to form distorted LiF6 octahedra that share  a cornercorner with one Cu(2)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Cu(1)F6 octahedra, and edges with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(4), one F(7), and two equivalent F(3) atoms to form CuF6 octahedra that share  a cornercorner with one Cu(2)F6 octahedra, corners with two equivalent Li(2)F6 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Cu(1)F6 octahedra, and edges with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-21°. In the second Cu site, Cu(2) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form CuF6 octahedra that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Cu(1)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Cu(2) and two equivalent Cu(1) atoms. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Cu(2) atom. In the seventh F site, F(7) is bonded to two equivalent Li(2), one Cu(1), and one Cu(2) atom to form distorted edge-sharing FLi2Cu2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Cu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   6.446
_cell_length_c   8.705
_cell_angle_alpha   72.422
_cell_angle_beta   74.169
_cell_angle_gamma   84.703
_symmetry_Int_Tables_number   1
_cell_volume   274.469
_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  0.093  0.411  0.266  1.0
  Li  Li1  1  0.545  0.241  0.359  1.0
  Li  Li2  1  0.455  0.759  0.641  1.0
  Li  Li3  1  0.907  0.589  0.734  1.0
  Cu  Cu4  1  0.304  0.007  0.171  1.0
  Cu  Cu5  1  0.788  0.790  0.304  1.0
  Cu  Cu6  1  0.212  0.210  0.696  1.0
  Cu  Cu7  1  0.696  0.993  0.829  1.0
  F  F8  1  0.404  0.281  0.160  1.0
  F  F9  1  0.152  0.732  0.201  1.0
  F  F10  1  0.674  0.908  0.088  1.0
  F  F11  1  0.935  0.085  0.261  1.0
  F  F12  1  0.735  0.501  0.302  1.0
  F  F13  1  0.182  0.299  0.471  1.0
  F  F14  1  0.445  0.889  0.395  1.0
  F  F15  1  0.555  0.111  0.605  1.0
  F  F16  1  0.818  0.701  0.529  1.0
  F  F17  1  0.265  0.499  0.698  1.0
  F  F18  1  0.065  0.915  0.739  1.0
  F  F19  1  0.326  0.092  0.912  1.0
  F  F20  1  0.848  0.268  0.799  1.0
  F  F21  1  0.596  0.719  0.840  1.0
[/CIF]
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