The material 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(10), one F(4), one F(5), and one F(7) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one F(1), one F(11), one F(2), 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(3)OF4 square pyramids,  an edgeedge with one Cu(5)F5 square pyramid, and  an edgeedge with one Cu(4)OF4 square pyramid. 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 CuOF4 square pyramids that share corners with two equivalent Cu(2)OF5 octahedra and corners with four equivalent Cu(4)OF4 square pyramids. The corner-sharing octahedral tilt angles range from 54-61°. 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 four equivalent Cu(3)OF4 square pyramids and  an edgeedge with one Cu(2)OF5 octahedra. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form distorted edge-sharing CuF5 square pyramids. In the sixth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one F(10), one F(11), one F(6), one F(7), and one F(8) atom. 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 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to 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 Li(1), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a 3-coordinate 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 3-coordinate geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.453
_cell_length_b   4.653
_cell_length_c   9.064
_cell_angle_alpha   93.290
_cell_angle_beta   91.497
_cell_angle_gamma   87.665
_symmetry_Int_Tables_number   1
_cell_volume   229.377
_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  0.863  0.232  0.534  1.0
  Cu  Cu1  1  0.008  0.010  0.002  1.0
  Cu  Cu2  1  0.498  0.536  0.029  1.0
  Cu  Cu3  1  0.341  0.006  0.310  1.0
  Cu  Cu4  1  0.818  0.531  0.302  1.0
  Cu  Cu5  1  0.181  0.505  0.692  1.0
  Cu  Cu6  1  0.644  0.938  0.714  1.0
  O  O7  1  0.549  0.729  0.221  1.0
  F  F8  1  0.276  0.223  0.081  1.0
  F  F9  1  0.054  0.800  0.245  1.0
  F  F10  1  0.790  0.298  0.078  1.0
  F  F11  1  0.100  0.299  0.395  1.0
  F  F12  1  0.610  0.232  0.392  1.0
  F  F13  1  0.371  0.785  0.600  1.0
  F  F14  1  0.872  0.666  0.599  1.0
  F  F15  1  0.468  0.298  0.779  1.0
  F  F16  1  0.223  0.721  0.918  1.0
  F  F17  1  0.964  0.186  0.732  1.0
  F  F18  1  0.732  0.799  0.923  1.0
[/CIF]
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The material 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(10), one F(4), one F(5), and one F(7) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one F(1), one F(11), one F(2), 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(3)OF4 square pyramids,  an edgeedge with one Cu(5)F5 square pyramid, and  an edgeedge with one Cu(4)OF4 square pyramid. 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 CuOF4 square pyramids that share corners with two equivalent Cu(2)OF5 octahedra and corners with four equivalent Cu(4)OF4 square pyramids. The corner-sharing octahedral tilt angles range from 54-61°. 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 four equivalent Cu(3)OF4 square pyramids and  an edgeedge with one Cu(2)OF5 octahedra. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form distorted edge-sharing CuF5 square pyramids. In the sixth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one F(10), one F(11), one F(6), one F(7), and one F(8) atom. 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 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to 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 Li(1), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a 3-coordinate 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 3-coordinate geometry to one Li(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.453
_cell_length_b   4.653
_cell_length_c   9.064
_cell_angle_alpha   93.290
_cell_angle_beta   91.497
_cell_angle_gamma   87.665
_symmetry_Int_Tables_number   1
_cell_volume   229.377
_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  0.863  0.232  0.534  1.0
  Cu  Cu1  1  0.008  0.010  0.002  1.0
  Cu  Cu2  1  0.498  0.536  0.029  1.0
  Cu  Cu3  1  0.341  0.006  0.310  1.0
  Cu  Cu4  1  0.818  0.531  0.302  1.0
  Cu  Cu5  1  0.181  0.505  0.692  1.0
  Cu  Cu6  1  0.644  0.938  0.714  1.0
  O  O7  1  0.549  0.729  0.221  1.0
  F  F8  1  0.276  0.223  0.081  1.0
  F  F9  1  0.054  0.800  0.245  1.0
  F  F10  1  0.790  0.298  0.078  1.0
  F  F11  1  0.100  0.299  0.395  1.0
  F  F12  1  0.610  0.232  0.392  1.0
  F  F13  1  0.371  0.785  0.600  1.0
  F  F14  1  0.872  0.666  0.599  1.0
  F  F15  1  0.468  0.298  0.779  1.0
  F  F16  1  0.223  0.721  0.918  1.0
  F  F17  1  0.964  0.186  0.732  1.0
  F  F18  1  0.732  0.799  0.923  1.0
[/CIF]
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