The compound described by LiCu2F7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(3), one F(5), and one F(9) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one F(11), one F(12), and one F(6) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(10), one F(13), one F(2), one F(3), one F(7), and one F(9) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the second Cu site, Cu(2) is bonded to one F(1), one F(10), one F(14), one F(3), one F(5), and one F(7) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the third Cu site, Cu(3) is bonded to one F(11), one F(12), one F(13), one F(2), one F(4), and one F(8) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. In the fourth Cu site, Cu(4) is bonded to one F(1), one F(12), one F(14), one F(4), one F(6), and one F(8) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(3) 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 Cu(3) and one Cu(4) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(4) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Cu(2) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one Cu(4) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(1) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Cu(2) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(3) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(2), one Cu(3), and one Cu(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(3) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(4) atom. is represented by the CIF card [CIF]
data_LiCu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   6.597
_cell_length_c   7.215
_cell_angle_alpha   95.784
_cell_angle_beta   89.824
_cell_angle_gamma   113.400
_symmetry_Int_Tables_number   1
_cell_volume   229.559
_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  0.013  0.001  0.251  1.0
  Li  Li1  1  0.995  0.011  0.759  1.0
  Cu  Cu2  1  0.363  0.700  0.285  1.0
  Cu  Cu3  1  0.664  0.299  0.214  1.0
  Cu  Cu4  1  0.344  0.702  0.785  1.0
  Cu  Cu5  1  0.638  0.295  0.715  1.0
  F  F6  1  0.776  0.300  0.467  1.0
  F  F7  1  0.473  0.699  0.032  1.0
  F  F8  1  0.362  0.001  0.249  1.0
  F  F9  1  0.598  0.582  0.702  1.0
  F  F10  1  0.882  0.157  0.111  1.0
  F  F11  1  0.282  0.160  0.616  1.0
  F  F12  1  0.975  0.585  0.201  1.0
  F  F13  1  0.016  0.416  0.797  1.0
  F  F14  1  0.720  0.841  0.385  1.0
  F  F15  1  0.389  0.414  0.300  1.0
  F  F16  1  0.123  0.836  0.882  1.0
  F  F17  1  0.637  0.003  0.749  1.0
  F  F18  1  0.227  0.701  0.533  1.0
  F  F19  1  0.524  0.298  0.967  1.0
[/CIF]
.
The compound described by LiCu2F7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(3), one F(5), and one F(9) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one F(11), one F(12), and one F(6) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(10), one F(13), one F(2), one F(3), one F(7), and one F(9) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the second Cu site, Cu(2) is bonded to one F(1), one F(10), one F(14), one F(3), one F(5), and one F(7) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the third Cu site, Cu(3) is bonded to one F(11), one F(12), one F(13), one F(2), one F(4), and one F(8) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. In the fourth Cu site, Cu(4) is bonded to one F(1), one F(12), one F(14), one F(4), one F(6), and one F(8) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(3) 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 Cu(3) and one Cu(4) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(4) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Cu(2) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one Cu(4) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Cu(1) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Cu(2) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(2) and one Cu(3) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(2), one Cu(3), and one Cu(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(3) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(4) atom. is represented by the CIF card [CIF]
data_LiCu2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   6.597
_cell_length_c   7.215
_cell_angle_alpha   95.784
_cell_angle_beta   89.824
_cell_angle_gamma   113.400
_symmetry_Int_Tables_number   1
_cell_volume   229.559
_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  0.013  0.001  0.251  1.0
  Li  Li1  1  0.995  0.011  0.759  1.0
  Cu  Cu2  1  0.363  0.700  0.285  1.0
  Cu  Cu3  1  0.664  0.299  0.214  1.0
  Cu  Cu4  1  0.344  0.702  0.785  1.0
  Cu  Cu5  1  0.638  0.295  0.715  1.0
  F  F6  1  0.776  0.300  0.467  1.0
  F  F7  1  0.473  0.699  0.032  1.0
  F  F8  1  0.362  0.001  0.249  1.0
  F  F9  1  0.598  0.582  0.702  1.0
  F  F10  1  0.882  0.157  0.111  1.0
  F  F11  1  0.282  0.160  0.616  1.0
  F  F12  1  0.975  0.585  0.201  1.0
  F  F13  1  0.016  0.416  0.797  1.0
  F  F14  1  0.720  0.841  0.385  1.0
  F  F15  1  0.389  0.414  0.300  1.0
  F  F16  1  0.123  0.836  0.882  1.0
  F  F17  1  0.637  0.003  0.749  1.0
  F  F18  1  0.227  0.701  0.533  1.0
  F  F19  1  0.524  0.298  0.967  1.0
[/CIF]
.