The compound described by Cu6OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(9) atom to form CuOF5 octahedra that share corners with four equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(6)OF5 octahedra,  an edgeedge with one Cu(3)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(2), one F(3), and one F(4) atom to form CuOF5 octahedra that share corners with four equivalent Cu(3)F6 octahedra, corners with four equivalent Cu(1)OF5 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Cu site, Cu(3) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form CuF6 octahedra that share corners with four equivalent Cu(4)F6 octahedra, corners with four equivalent Cu(2)OF5 octahedra,  an edgeedge with one Cu(5)F6 octahedra, and  an edgeedge with one Cu(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the fourth Cu site, Cu(4) is bonded to one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form CuF6 octahedra that share corners with four equivalent Cu(3)F6 octahedra, corners with four equivalent Cu(5)F6 octahedra,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form CuF6 octahedra that share corners with four equivalent Cu(4)F6 octahedra, corners with four equivalent Cu(6)OF5 octahedra,  an edgeedge with one Cu(3)F6 octahedra, and  an edgeedge with one Cu(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the sixth Cu site, Cu(6) is bonded to one O(1), one F(10), one F(11), one F(7), one F(8), and one F(9) atom to form CuOF5 octahedra that share corners with four equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(1)OF5 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) 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 distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(2), 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 Cu(3), one Cu(4), and one Cu(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) 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(4), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one Cu(6) 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 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.698
_cell_length_b   4.552
_cell_length_c   4.552
_cell_angle_alpha   91.227
_cell_angle_beta   83.987
_cell_angle_gamma   90.245
_symmetry_Int_Tables_number   1
_cell_volume   199.786
_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
  Cu  Cu0  1  0.998  0.982  0.964  1.0
  Cu  Cu1  1  0.161  0.513  0.501  1.0
  Cu  Cu2  1  0.331  0.012  0.001  1.0
  Cu  Cu3  1  0.502  0.505  0.506  1.0
  Cu  Cu4  1  0.669  0.003  0.012  1.0
  Cu  Cu5  1  0.843  0.510  0.508  1.0
  O  O6  1  0.001  0.652  0.722  1.0
  F  F7  1  0.174  0.818  0.211  1.0
  F  F8  1  0.159  0.180  0.766  1.0
  F  F9  1  0.323  0.324  0.285  1.0
  F  F10  1  0.344  0.695  0.718  1.0
  F  F11  1  0.512  0.813  0.224  1.0
  F  F12  1  0.492  0.199  0.792  1.0
  F  F13  1  0.664  0.316  0.302  1.0
  F  F14  1  0.681  0.692  0.723  1.0
  F  F15  1  0.839  0.804  0.219  1.0
  F  F16  1  0.821  0.187  0.783  1.0
  F  F17  1  0.986  0.294  0.264  1.0
[/CIF]
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The compound described by Cu6OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(9) atom to form CuOF5 octahedra that share corners with four equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(6)OF5 octahedra,  an edgeedge with one Cu(3)F6 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(2), one F(3), and one F(4) atom to form CuOF5 octahedra that share corners with four equivalent Cu(3)F6 octahedra, corners with four equivalent Cu(1)OF5 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Cu site, Cu(3) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form CuF6 octahedra that share corners with four equivalent Cu(4)F6 octahedra, corners with four equivalent Cu(2)OF5 octahedra,  an edgeedge with one Cu(5)F6 octahedra, and  an edgeedge with one Cu(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the fourth Cu site, Cu(4) is bonded to one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form CuF6 octahedra that share corners with four equivalent Cu(3)F6 octahedra, corners with four equivalent Cu(5)F6 octahedra,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form CuF6 octahedra that share corners with four equivalent Cu(4)F6 octahedra, corners with four equivalent Cu(6)OF5 octahedra,  an edgeedge with one Cu(3)F6 octahedra, and  an edgeedge with one Cu(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the sixth Cu site, Cu(6) is bonded to one O(1), one F(10), one F(11), one F(7), one F(8), and one F(9) atom to form CuOF5 octahedra that share corners with four equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(1)OF5 octahedra,  an edgeedge with one Cu(4)F6 octahedra, and  an edgeedge with one Cu(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) 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 distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(2), 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 Cu(3), one Cu(4), and one Cu(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) 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(4), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one Cu(6) 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 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.698
_cell_length_b   4.552
_cell_length_c   4.552
_cell_angle_alpha   91.227
_cell_angle_beta   83.987
_cell_angle_gamma   90.245
_symmetry_Int_Tables_number   1
_cell_volume   199.786
_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
  Cu  Cu0  1  0.998  0.982  0.964  1.0
  Cu  Cu1  1  0.161  0.513  0.501  1.0
  Cu  Cu2  1  0.331  0.012  0.001  1.0
  Cu  Cu3  1  0.502  0.505  0.506  1.0
  Cu  Cu4  1  0.669  0.003  0.012  1.0
  Cu  Cu5  1  0.843  0.510  0.508  1.0
  O  O6  1  0.001  0.652  0.722  1.0
  F  F7  1  0.174  0.818  0.211  1.0
  F  F8  1  0.159  0.180  0.766  1.0
  F  F9  1  0.323  0.324  0.285  1.0
  F  F10  1  0.344  0.695  0.718  1.0
  F  F11  1  0.512  0.813  0.224  1.0
  F  F12  1  0.492  0.199  0.792  1.0
  F  F13  1  0.664  0.316  0.302  1.0
  F  F14  1  0.681  0.692  0.723  1.0
  F  F15  1  0.839  0.804  0.219  1.0
  F  F16  1  0.821  0.187  0.783  1.0
  F  F17  1  0.986  0.294  0.264  1.0
[/CIF]
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