The structure described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Cu(1)F5 square pyramid,  a cornercorner with one Cu(6)F5 square pyramid,  a cornercorner with one Cu(2)OF4 trigonal bipyramid, edges with two equivalent Cu(5)F6 octahedra,  an edgeedge with one Cu(1)F5 square pyramid,  an edgeedge with one Cu(6)F5 square pyramid, and  an edgeedge with one Cu(2)OF4 trigonal bipyramid. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(11), one F(2), one F(3), and one F(9) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Cu(5)F6 octahedra, corners with two equivalent Cu(4)OF5 octahedra, corners with four equivalent Cu(2)OF4 trigonal bipyramids, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), and one F(9) atom to form CuOF4 trigonal bipyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Cu(5)F6 octahedra, corners with four equivalent Cu(1)F5 square pyramids,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cu(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 71-78°. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like 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 CuOF5 octahedra that share corners with two equivalent Cu(1)F5 square pyramids, corners with two equivalent Cu(6)F5 square pyramids,  an edgeedge with one Cu(5)F6 octahedra, and  an edgeedge with one Cu(2)OF4 trigonal bipyramid. 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  a cornercorner with one Cu(1)F5 square pyramid, corners with four equivalent Cu(6)F5 square pyramids,  a cornercorner with one Cu(2)OF4 trigonal bipyramid,  an edgeedge with one Cu(4)OF5 octahedra, and edges with two equivalent Li(1)F6 octahedra. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Cu(4)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. O(1) is bonded in a trigonal planar geometry to 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 distorted T-shaped geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. 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 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 4-coordinate geometry to one Li(1), 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 T-shaped geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal 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 distorted T-shaped geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   4.762
_cell_length_c   8.772
_cell_angle_alpha   91.071
_cell_angle_beta   94.882
_cell_angle_gamma   88.258
_symmetry_Int_Tables_number   1
_cell_volume   224.430
_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  0.349  0.018  0.855  1.0
  Cu  Cu1  1  0.955  0.990  0.018  1.0
  Cu  Cu2  1  0.459  0.552  0.062  1.0
  Cu  Cu3  1  0.349  0.986  0.332  1.0
  Cu  Cu4  1  0.831  0.505  0.333  1.0
  Cu  Cu5  1  0.201  0.493  0.655  1.0
  Cu  Cu6  1  0.713  0.007  0.651  1.0
  O  O7  1  0.546  0.702  0.256  1.0
  F  F8  1  0.272  0.187  0.056  1.0
  F  F9  1  0.057  0.790  0.251  1.0
  F  F10  1  0.779  0.300  0.102  1.0
  F  F11  1  0.134  0.285  0.408  1.0
  F  F12  1  0.630  0.192  0.418  1.0
  F  F13  1  0.401  0.805  0.609  1.0
  F  F14  1  0.901  0.690  0.572  1.0
  F  F15  1  0.499  0.298  0.743  1.0
  F  F16  1  0.166  0.705  0.915  1.0
  F  F17  1  0.016  0.188  0.734  1.0
  F  F18  1  0.655  0.820  0.928  1.0
[/CIF]
.
The structure described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Cu(1)F5 square pyramid,  a cornercorner with one Cu(6)F5 square pyramid,  a cornercorner with one Cu(2)OF4 trigonal bipyramid, edges with two equivalent Cu(5)F6 octahedra,  an edgeedge with one Cu(1)F5 square pyramid,  an edgeedge with one Cu(6)F5 square pyramid, and  an edgeedge with one Cu(2)OF4 trigonal bipyramid. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(11), one F(2), one F(3), and one F(9) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Cu(5)F6 octahedra, corners with two equivalent Cu(4)OF5 octahedra, corners with four equivalent Cu(2)OF4 trigonal bipyramids, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), and one F(9) atom to form CuOF4 trigonal bipyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Cu(5)F6 octahedra, corners with four equivalent Cu(1)F5 square pyramids,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cu(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 71-78°. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like 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 CuOF5 octahedra that share corners with two equivalent Cu(1)F5 square pyramids, corners with two equivalent Cu(6)F5 square pyramids,  an edgeedge with one Cu(5)F6 octahedra, and  an edgeedge with one Cu(2)OF4 trigonal bipyramid. 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  a cornercorner with one Cu(1)F5 square pyramid, corners with four equivalent Cu(6)F5 square pyramids,  a cornercorner with one Cu(2)OF4 trigonal bipyramid,  an edgeedge with one Cu(4)OF5 octahedra, and edges with two equivalent Li(1)F6 octahedra. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Cu(4)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. O(1) is bonded in a trigonal planar geometry to 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 distorted T-shaped geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. 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 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 4-coordinate geometry to one Li(1), 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 T-shaped geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal 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 distorted T-shaped geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   4.762
_cell_length_c   8.772
_cell_angle_alpha   91.071
_cell_angle_beta   94.882
_cell_angle_gamma   88.258
_symmetry_Int_Tables_number   1
_cell_volume   224.430
_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  0.349  0.018  0.855  1.0
  Cu  Cu1  1  0.955  0.990  0.018  1.0
  Cu  Cu2  1  0.459  0.552  0.062  1.0
  Cu  Cu3  1  0.349  0.986  0.332  1.0
  Cu  Cu4  1  0.831  0.505  0.333  1.0
  Cu  Cu5  1  0.201  0.493  0.655  1.0
  Cu  Cu6  1  0.713  0.007  0.651  1.0
  O  O7  1  0.546  0.702  0.256  1.0
  F  F8  1  0.272  0.187  0.056  1.0
  F  F9  1  0.057  0.790  0.251  1.0
  F  F10  1  0.779  0.300  0.102  1.0
  F  F11  1  0.134  0.285  0.408  1.0
  F  F12  1  0.630  0.192  0.418  1.0
  F  F13  1  0.401  0.805  0.609  1.0
  F  F14  1  0.901  0.690  0.572  1.0
  F  F15  1  0.499  0.298  0.743  1.0
  F  F16  1  0.166  0.705  0.915  1.0
  F  F17  1  0.016  0.188  0.734  1.0
  F  F18  1  0.655  0.820  0.928  1.0
[/CIF]
.