The material described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(9) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one F(1), one F(10), one F(11), one F(3), and one F(9) atom. 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 distorted CuOF5 octahedra that share corners with two equivalent Cu(6)F6 octahedra, corners with two equivalent Cu(3)OF5 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(5)F6 octahedra, corners with two equivalent Cu(2)OF5 octahedra, and  an edgeedge with one Cu(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the fourth Cu site, Cu(4) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(4), one F(5), and one F(7) atom. 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 distorted CuF6 octahedra that share corners with two equivalent Cu(3)OF5 octahedra, corners with four equivalent Cu(6)F6 octahedra, and  an edgeedge with one Cu(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form CuF6 octahedra that share corners with two equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra, and  an edgeedge with one Cu(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. O(1) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Cu(2), one Cu(3), and one Cu(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1), one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to 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 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 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 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the CIF card [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.399
_cell_length_b   4.835
_cell_length_c   8.406
_cell_angle_alpha   92.839
_cell_angle_beta   94.338
_cell_angle_gamma   88.666
_symmetry_Int_Tables_number   1
_cell_volume   218.493
_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  0.172  0.467  0.194  1.0
  Cu  Cu1  1  0.023  0.008  0.989  1.0
  Cu  Cu2  1  0.542  0.537  0.017  1.0
  Cu  Cu3  1  0.324  0.965  0.335  1.0
  Cu  Cu4  1  0.773  0.507  0.354  1.0
  Cu  Cu5  1  0.183  0.503  0.671  1.0
  Cu  Cu6  1  0.676  0.010  0.670  1.0
  O  O7  1  0.498  0.659  0.239  1.0
  F  F8  1  0.319  0.171  0.082  1.0
  F  F9  1  0.008  0.788  0.268  1.0
  F  F10  1  0.849  0.331  0.075  1.0
  F  F11  1  0.113  0.298  0.394  1.0
  F  F12  1  0.610  0.178  0.426  1.0
  F  F13  1  0.378  0.798  0.598  1.0
  F  F14  1  0.882  0.691  0.589  1.0
  F  F15  1  0.482  0.327  0.768  1.0
  F  F16  1  0.211  0.678  0.940  1.0
  F  F17  1  0.982  0.207  0.735  1.0
  F  F18  1  0.725  0.837  0.905  1.0
[/CIF]
.
The material described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(9) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one F(1), one F(10), one F(11), one F(3), and one F(9) atom. 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 distorted CuOF5 octahedra that share corners with two equivalent Cu(6)F6 octahedra, corners with two equivalent Cu(3)OF5 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(5)F6 octahedra, corners with two equivalent Cu(2)OF5 octahedra, and  an edgeedge with one Cu(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the fourth Cu site, Cu(4) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(4), one F(5), and one F(7) atom. 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 distorted CuF6 octahedra that share corners with two equivalent Cu(3)OF5 octahedra, corners with four equivalent Cu(6)F6 octahedra, and  an edgeedge with one Cu(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form CuF6 octahedra that share corners with two equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra, and  an edgeedge with one Cu(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. O(1) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Cu(2), one Cu(3), and one Cu(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(1), one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to 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 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 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 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the CIF card [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.399
_cell_length_b   4.835
_cell_length_c   8.406
_cell_angle_alpha   92.839
_cell_angle_beta   94.338
_cell_angle_gamma   88.666
_symmetry_Int_Tables_number   1
_cell_volume   218.493
_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  0.172  0.467  0.194  1.0
  Cu  Cu1  1  0.023  0.008  0.989  1.0
  Cu  Cu2  1  0.542  0.537  0.017  1.0
  Cu  Cu3  1  0.324  0.965  0.335  1.0
  Cu  Cu4  1  0.773  0.507  0.354  1.0
  Cu  Cu5  1  0.183  0.503  0.671  1.0
  Cu  Cu6  1  0.676  0.010  0.670  1.0
  O  O7  1  0.498  0.659  0.239  1.0
  F  F8  1  0.319  0.171  0.082  1.0
  F  F9  1  0.008  0.788  0.268  1.0
  F  F10  1  0.849  0.331  0.075  1.0
  F  F11  1  0.113  0.298  0.394  1.0
  F  F12  1  0.610  0.178  0.426  1.0
  F  F13  1  0.378  0.798  0.598  1.0
  F  F14  1  0.882  0.691  0.589  1.0
  F  F15  1  0.482  0.327  0.768  1.0
  F  F16  1  0.211  0.678  0.940  1.0
  F  F17  1  0.982  0.207  0.735  1.0
  F  F18  1  0.725  0.837  0.905  1.0
[/CIF]
.