The crystal structure described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(4), one F(5), one F(6), and one F(8) atom. 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(2), one F(3), and one F(9) atom to form distorted CuF6 octahedra that share corners with two equivalent Cu(4)OF4 square pyramids, corners with four equivalent Cu(2)OF4 trigonal bipyramids,  an edgeedge with one Cu(3)OF4 square pyramid, and  an edgeedge with one Cu(6)F5 trigonal bipyramid. 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 corners with four equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(3)OF4 square pyramids,  a cornercorner with one Cu(6)F5 trigonal bipyramid, and  an edgeedge with one Cu(4)OF4 square pyramid. The corner-sharing octahedral tilt angles range from 34-57°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), and one F(5) atom to form distorted CuOF4 square pyramids that share corners with four equivalent Cu(4)OF4 square pyramids, corners with two equivalent Cu(2)OF4 trigonal bipyramids, and  an edgeedge with one Cu(1)F6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CuOF4 square pyramids that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Cu(3)OF4 square pyramids, and  an edgeedge with one Cu(2)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-56°. In the fifth Cu site, Cu(5) is bonded in a 5-coordinate geometry to one F(10), one F(6), one F(7), one F(8), and one F(9) atom. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(6), one F(7), and one F(8) atom to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Cu(2)OF4 trigonal bipyramid and  an edgeedge with one Cu(1)F6 octahedra. 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 trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate 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 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to 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 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 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   5.404
_cell_length_b   4.693
_cell_length_c   9.029
_cell_angle_alpha   88.950
_cell_angle_beta   90.211
_cell_angle_gamma   90.331
_symmetry_Int_Tables_number   1
_cell_volume   228.934
_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  0.326  0.216  0.546  1.0
  Cu  Cu1  1  0.003  0.002  0.002  1.0
  Cu  Cu2  1  0.508  0.534  0.038  1.0
  Cu  Cu3  1  0.347  0.966  0.296  1.0
  Cu  Cu4  1  0.821  0.486  0.319  1.0
  Cu  Cu5  1  0.146  0.566  0.713  1.0
  Cu  Cu6  1  0.681  0.993  0.688  1.0
  O  O7  1  0.555  0.683  0.234  1.0
  F  F8  1  0.285  0.203  0.078  1.0
  F  F9  1  0.053  0.761  0.240  1.0
  F  F10  1  0.794  0.280  0.079  1.0
  F  F11  1  0.111  0.254  0.388  1.0
  F  F12  1  0.600  0.189  0.405  1.0
  F  F13  1  0.374  0.826  0.604  1.0
  F  F14  1  0.875  0.706  0.591  1.0
  F  F15  1  0.464  0.314  0.736  1.0
  F  F16  1  0.220  0.714  0.926  1.0
  F  F17  1  0.976  0.203  0.752  1.0
  F  F18  1  0.724  0.800  0.919  1.0
[/CIF]
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The crystal structure described by LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(4), one F(5), one F(6), and one F(8) atom. 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(2), one F(3), and one F(9) atom to form distorted CuF6 octahedra that share corners with two equivalent Cu(4)OF4 square pyramids, corners with four equivalent Cu(2)OF4 trigonal bipyramids,  an edgeedge with one Cu(3)OF4 square pyramid, and  an edgeedge with one Cu(6)F5 trigonal bipyramid. 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 corners with four equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(3)OF4 square pyramids,  a cornercorner with one Cu(6)F5 trigonal bipyramid, and  an edgeedge with one Cu(4)OF4 square pyramid. The corner-sharing octahedral tilt angles range from 34-57°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), and one F(5) atom to form distorted CuOF4 square pyramids that share corners with four equivalent Cu(4)OF4 square pyramids, corners with two equivalent Cu(2)OF4 trigonal bipyramids, and  an edgeedge with one Cu(1)F6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CuOF4 square pyramids that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Cu(3)OF4 square pyramids, and  an edgeedge with one Cu(2)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-56°. In the fifth Cu site, Cu(5) is bonded in a 5-coordinate geometry to one F(10), one F(6), one F(7), one F(8), and one F(9) atom. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(6), one F(7), and one F(8) atom to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Cu(2)OF4 trigonal bipyramid and  an edgeedge with one Cu(1)F6 octahedra. 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 trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate 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 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to 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 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 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   5.404
_cell_length_b   4.693
_cell_length_c   9.029
_cell_angle_alpha   88.950
_cell_angle_beta   90.211
_cell_angle_gamma   90.331
_symmetry_Int_Tables_number   1
_cell_volume   228.934
_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  0.326  0.216  0.546  1.0
  Cu  Cu1  1  0.003  0.002  0.002  1.0
  Cu  Cu2  1  0.508  0.534  0.038  1.0
  Cu  Cu3  1  0.347  0.966  0.296  1.0
  Cu  Cu4  1  0.821  0.486  0.319  1.0
  Cu  Cu5  1  0.146  0.566  0.713  1.0
  Cu  Cu6  1  0.681  0.993  0.688  1.0
  O  O7  1  0.555  0.683  0.234  1.0
  F  F8  1  0.285  0.203  0.078  1.0
  F  F9  1  0.053  0.761  0.240  1.0
  F  F10  1  0.794  0.280  0.079  1.0
  F  F11  1  0.111  0.254  0.388  1.0
  F  F12  1  0.600  0.189  0.405  1.0
  F  F13  1  0.374  0.826  0.604  1.0
  F  F14  1  0.875  0.706  0.591  1.0
  F  F15  1  0.464  0.314  0.736  1.0
  F  F16  1  0.220  0.714  0.926  1.0
  F  F17  1  0.976  0.203  0.752  1.0
  F  F18  1  0.724  0.800  0.919  1.0
[/CIF]
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