The structure described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one F(1), one F(11), one F(2), one F(3), and one F(5) atom to form LiOF5 octahedra that share  a cornercorner with one Cu(1)F5 square pyramid, edges with two equivalent Cu(2)OF5 octahedra, edges with two equivalent Cu(4)OF5 octahedra, and  an edgeedge with one Cu(1)F5 square pyramid. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(11), one F(3), and one F(9) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Cu(4)OF5 octahedra, corners with two equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(2)OF5 octahedra, and  an edgeedge with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(8), and one F(9) atom to form CuOF5 octahedra that share corners with four equivalent Cu(1)F5 square pyramids,  an edgeedge with one Cu(5)F6 octahedra,  an edgeedge with one Cu(4)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(4), one F(5), and one F(6) atom. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form distorted CuOF5 octahedra that share  a cornercorner with one Cu(1)F5 square pyramid,  an edgeedge with one Cu(5)F6 octahedra,  an edgeedge with one Cu(2)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form CuF6 octahedra that share corners with two equivalent Cu(1)F5 square pyramids,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(4)OF5 octahedra. In the sixth Cu site, Cu(6) is bonded in a distorted rectangular see-saw-like geometry to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom. O(1) is bonded to one Li(1), one Cu(2), one Cu(3), and one Cu(4) atom to form OLiCu3 trigonal pyramids that share  a cornercorner with one F(3)LiCu3 trigonal pyramid and  an edgeedge with one F(3)LiCu3 trigonal pyramid. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded to one Li(1), one Cu(1), one Cu(2), and one Cu(4) atom to form distorted FLiCu3 trigonal pyramids that share  a cornercorner with one O(1)LiCu3 trigonal pyramid and  an edgeedge with one O(1)LiCu3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), one Cu(4), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the CIF file [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.416
_cell_length_b   4.829
_cell_length_c   8.406
_cell_angle_alpha   93.138
_cell_angle_beta   94.937
_cell_angle_gamma   87.398
_symmetry_Int_Tables_number   1
_cell_volume   218.545
_cell_formula_units_Z   1
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  0.669  0.003  0.163  1.0
  Cu  Cu1  1  0.033  0.018  0.977  1.0
  Cu  Cu2  1  0.503  0.523  0.013  1.0
  Cu  Cu3  1  0.297  0.960  0.335  1.0
  Cu  Cu4  1  0.786  0.506  0.337  1.0
  Cu  Cu5  1  0.170  0.499  0.658  1.0
  Cu  Cu6  1  0.666  0.006  0.668  1.0
  O  O7  1  0.505  0.685  0.231  1.0
  F  F8  1  0.334  0.184  0.069  1.0
  F  F9  1  0.990  0.796  0.257  1.0
  F  F10  1  0.834  0.299  0.082  1.0
  F  F11  1  0.096  0.287  0.419  1.0
  F  F12  1  0.596  0.178  0.383  1.0
  F  F13  1  0.380  0.797  0.585  1.0
  F  F14  1  0.871  0.710  0.580  1.0
  F  F15  1  0.467  0.308  0.759  1.0
  F  F16  1  0.204  0.706  0.891  1.0
  F  F17  1  0.956  0.214  0.737  1.0
  F  F18  1  0.719  0.822  0.942  1.0
[/CIF]
.
The structure described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one F(1), one F(11), one F(2), one F(3), and one F(5) atom to form LiOF5 octahedra that share  a cornercorner with one Cu(1)F5 square pyramid, edges with two equivalent Cu(2)OF5 octahedra, edges with two equivalent Cu(4)OF5 octahedra, and  an edgeedge with one Cu(1)F5 square pyramid. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(11), one F(3), and one F(9) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one Cu(4)OF5 octahedra, corners with two equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(2)OF5 octahedra, and  an edgeedge with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(8), and one F(9) atom to form CuOF5 octahedra that share corners with four equivalent Cu(1)F5 square pyramids,  an edgeedge with one Cu(5)F6 octahedra,  an edgeedge with one Cu(4)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(4), one F(5), and one F(6) atom. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form distorted CuOF5 octahedra that share  a cornercorner with one Cu(1)F5 square pyramid,  an edgeedge with one Cu(5)F6 octahedra,  an edgeedge with one Cu(2)OF5 octahedra, and edges with two equivalent Li(1)OF5 octahedra. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form CuF6 octahedra that share corners with two equivalent Cu(1)F5 square pyramids,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(4)OF5 octahedra. In the sixth Cu site, Cu(6) is bonded in a distorted rectangular see-saw-like geometry to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom. O(1) is bonded to one Li(1), one Cu(2), one Cu(3), and one Cu(4) atom to form OLiCu3 trigonal pyramids that share  a cornercorner with one F(3)LiCu3 trigonal pyramid and  an edgeedge with one F(3)LiCu3 trigonal pyramid. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded to one Li(1), one Cu(1), one Cu(2), and one Cu(4) atom to form distorted FLiCu3 trigonal pyramids that share  a cornercorner with one O(1)LiCu3 trigonal pyramid and  an edgeedge with one O(1)LiCu3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), one Cu(4), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the CIF file [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.416
_cell_length_b   4.829
_cell_length_c   8.406
_cell_angle_alpha   93.138
_cell_angle_beta   94.937
_cell_angle_gamma   87.398
_symmetry_Int_Tables_number   1
_cell_volume   218.545
_cell_formula_units_Z   1
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  0.669  0.003  0.163  1.0
  Cu  Cu1  1  0.033  0.018  0.977  1.0
  Cu  Cu2  1  0.503  0.523  0.013  1.0
  Cu  Cu3  1  0.297  0.960  0.335  1.0
  Cu  Cu4  1  0.786  0.506  0.337  1.0
  Cu  Cu5  1  0.170  0.499  0.658  1.0
  Cu  Cu6  1  0.666  0.006  0.668  1.0
  O  O7  1  0.505  0.685  0.231  1.0
  F  F8  1  0.334  0.184  0.069  1.0
  F  F9  1  0.990  0.796  0.257  1.0
  F  F10  1  0.834  0.299  0.082  1.0
  F  F11  1  0.096  0.287  0.419  1.0
  F  F12  1  0.596  0.178  0.383  1.0
  F  F13  1  0.380  0.797  0.585  1.0
  F  F14  1  0.871  0.710  0.580  1.0
  F  F15  1  0.467  0.308  0.759  1.0
  F  F16  1  0.204  0.706  0.891  1.0
  F  F17  1  0.956  0.214  0.737  1.0
  F  F18  1  0.719  0.822  0.942  1.0
[/CIF]
.