The compound described by Cu2OF2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(5), one F(1), one F(4), and one F(7) atom to form distorted CuO2F3 trigonal bipyramids that share  a cornercorner with one Cu(3)O2F4 octahedra,  a cornercorner with one Cu(7)O2F4 octahedra,  a cornercorner with one Cu(2)O3F3 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  an edgeedge with one Cu(14)O2F4 octahedra, and  an edgeedge with one Cu(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-62°. In the second Cu site, Cu(2) is bonded to one O(2), one O(5), one O(8), one F(13), one F(5), and one F(9) atom to form distorted CuO3F3 octahedra that share  a cornercorner with one Cu(7)O2F4 octahedra,  a cornercorner with one Cu(1)O2F3 trigonal bipyramid,  a cornercorner with one Cu(9)O2F3 trigonal bipyramid, and  an edgeedge with one Cu(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles are 50°. In the third Cu site, Cu(3) is bonded to one O(1), one O(4), one F(11), one F(15), one F(4), and one F(8) atom to form CuO2F4 octahedra that share  a cornercorner with one Cu(1)O2F3 trigonal bipyramid,  an edgeedge with one Cu(7)O2F4 octahedra,  an edgeedge with one Cu(6)O2F4 pentagonal pyramid, and  an edgeedge with one Cu(9)O2F3 trigonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(6), one F(10), one F(12), one F(2), one F(3), and one F(7) atom to form CuOF5 octahedra that share  a cornercorner with one Cu(7)O2F4 octahedra,  a cornercorner with one Cu(6)O2F4 pentagonal pyramid,  a cornercorner with one Cu(1)O2F3 trigonal bipyramid, and  a cornercorner with one Cu(9)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 43°. In the fifth Cu site, Cu(5) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(7), one F(1), one F(3), and one F(7) atom. In the sixth Cu site, Cu(6) is bonded to one O(1), one O(5), one F(12), one F(14), one F(4), and one F(5) atom to form distorted CuO2F4 pentagonal pyramids that share  a cornercorner with one Cu(14)O2F4 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  an edgeedge with one Cu(3)O2F4 octahedra,  an edgeedge with one Cu(7)O2F4 octahedra,  an edgeedge with one Cu(2)O3F3 octahedra, and  an edgeedge with one Cu(1)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-54°. In the seventh Cu site, Cu(7) is bonded to one O(4), one O(7), one F(10), one F(14), one F(4), and one F(9) atom to form distorted CuO2F4 octahedra that share  a cornercorner with one Cu(2)O3F3 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  a cornercorner with one Cu(1)O2F3 trigonal bipyramid,  an edgeedge with one Cu(14)O2F4 octahedra,  an edgeedge with one Cu(3)O2F4 octahedra,  an edgeedge with one Cu(6)O2F4 pentagonal pyramid, and  an edgeedge with one Cu(9)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-50°. In the eighth Cu site, Cu(8) is bonded in a 6-coordinate geometry to one O(1), one O(6), one O(8), one F(1), one F(13), and one F(2) atom. In the ninth Cu site, Cu(9) is bonded to one O(4), one O(8), one F(10), one F(15), and one F(6) atom to form distorted CuO2F3 trigonal bipyramids that share  a cornercorner with one Cu(14)O2F4 octahedra,  a cornercorner with one Cu(2)O3F3 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  an edgeedge with one Cu(3)O2F4 octahedra, and  an edgeedge with one Cu(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-64°. In the tenth Cu site, Cu(10) is bonded in a 6-coordinate geometry to one O(1), one O(7), one F(11), one F(2), one F(3), and one F(5) atom. In the eleventh Cu site, Cu(11) is bonded in a 6-coordinate geometry to one O(2), one F(12), one F(15), one F(16), one F(5), and one F(7) atom. In the twelfth Cu site, Cu(12) is bonded in a 6-coordinate geometry to one O(3), one O(5), one F(11), one F(3), one F(6), and one F(8) atom. In the thirteenth Cu site, Cu(13) is bonded in a 5-coordinate geometry to one O(3), one O(8), one F(15), one F(2), and one F(8) atom. In the fourteenth Cu site, Cu(14) is bonded to one O(3), one O(7), one F(1), one F(14), one F(16), and one F(6) atom to form CuO2F4 octahedra that share  a cornercorner with one Cu(6)O2F4 pentagonal pyramid,  a cornercorner with one Cu(9)O2F3 trigonal bipyramid,  an edgeedge with one Cu(7)O2F4 octahedra, and  an edgeedge with one Cu(1)O2F3 trigonal bipyramid. In the fifteenth Cu site, Cu(15) is bonded in a 6-coordinate geometry to one O(6), one F(10), one F(11), one F(13), one F(16), and one F(6) atom. In the sixteenth Cu site, Cu(16) is bonded in a 6-coordinate geometry to one O(2), one O(6), one F(14), one F(16), one F(8), and one F(9) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Cu(10), one Cu(3), one Cu(6), and one Cu(8) atom to form OCu4 tetrahedra that share  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(11), one Cu(16), one Cu(2), and one Cu(5) atom. In the third O site, O(3) is bonded to one Cu(1), one Cu(12), one Cu(13), and one Cu(14) atom to form OCu4 tetrahedra that share  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid,  an edgeedge with one O(5)Cu4 tetrahedra, and  an edgeedge with one F(8)Cu4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Cu(3), one Cu(5), one Cu(7), and one Cu(9) atom to form OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(7)Cu4 tetrahedra,  an edgeedge with one F(10)Cu4 tetrahedra, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the fifth O site, O(5) is bonded to one Cu(1), one Cu(12), one Cu(2), and one Cu(6) atom to form distorted OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(3)Cu4 tetrahedra, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Cu(15), one Cu(16), one Cu(4), and one Cu(8) atom to form distorted OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one F(10)Cu4 tetrahedra, and  an edgeedge with one F(16)Cu4 trigonal pyramid. In the seventh O site, O(7) is bonded to one Cu(10), one Cu(14), one Cu(5), and one Cu(7) atom to form OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid,  an edgeedge with one O(4)Cu4 tetrahedra, and  an edgeedge with one F(14)Cu4 trigonal pyramid. In the eighth O site, O(8) is bonded to one Cu(13), one Cu(2), one Cu(8), and one Cu(9) atom to form distorted OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra, and  a cornercorner with one F(8)Cu4 trigonal pyramid. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Cu(14), one Cu(5), and one Cu(8) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Cu(10), one Cu(13), one Cu(4), and one Cu(8) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Cu(10), one Cu(12), one Cu(4), and one Cu(5) atom. In the fourth F site, F(4) is bonded to one Cu(1), one Cu(3), one Cu(6), and one Cu(7) atom to form FCu4 trigonal pyramids that share  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(1)Cu4 tetrahedra,  an edgeedge with one O(4)Cu4 tetrahedra,  an edgeedge with one O(5)Cu4 tetrahedra, and  an edgeedge with one F(14)Cu4 trigonal pyramid. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Cu(10), one Cu(11), one Cu(2), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cu(12), one Cu(14), one Cu(15), and one Cu(9) atom. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(11), one Cu(4), and one Cu(5) atom. In the eighth F site, F(8) is bonded to one Cu(12), one Cu(13), one Cu(16), and one Cu(3) atom to form distorted FCu4 trigonal pyramids that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid, and  an edgeedge with one O(3)Cu4 tetrahedra. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Cu(16), one Cu(2), and one Cu(7) atom. In the tenth F site, F(10) is bonded to one Cu(15), one Cu(4), one Cu(7), and one Cu(9) atom to form distorted FCu4 tetrahedra that share  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid,  an edgeedge with one O(4)Cu4 tetrahedra, and  an edgeedge with one O(6)Cu4 tetrahedra. In the eleventh F site, F(11) is bonded in a distorted rectangular see-saw-like geometry to one Cu(10), one Cu(12), one Cu(15), and one Cu(3) atom. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Cu(11), one Cu(4), and one Cu(6) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Cu(15), one Cu(2), and one Cu(8) atom. In the fourteenth F site, F(14) is bonded to one Cu(14), one Cu(16), one Cu(6), and one Cu(7) atom to form FCu4 trigonal pyramids that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(7)Cu4 tetrahedra,  an edgeedge with one F(16)Cu4 trigonal pyramid, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the fifteenth F site, F(15) is bonded in a rectangular see-saw-like geometry to one Cu(11), one Cu(13), one Cu(3), and one Cu(9) atom. In the sixteenth F site, F(16) is bonded to one Cu(11), one Cu(14), one Cu(15), and one Cu(16) atom to form FCu4 trigonal pyramids that share  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(6)Cu4 tetrahedra, and  an edgeedge with one F(14)Cu4 trigonal pyramid. is represented by the CIF file [CIF]
data_Cu2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.441
_cell_length_b   8.444
_cell_length_c   8.394
_cell_angle_alpha   108.672
_cell_angle_beta   108.712
_cell_angle_gamma   109.919
_symmetry_Int_Tables_number   1
_cell_volume   466.658
_cell_formula_units_Z   8
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  0.821  0.323  0.052  1.0
  Cu  Cu1  1  0.036  0.026  0.036  1.0
  Cu  Cu2  1  0.519  0.005  0.496  1.0
  Cu  Cu3  1  0.474  0.513  0.988  1.0
  Cu  Cu4  1  0.519  0.277  0.249  1.0
  Cu  Cu5  1  0.940  0.188  0.751  1.0
  Cu  Cu6  1  0.730  0.453  0.666  1.0
  Cu  Cu7  1  0.760  0.969  0.244  1.0
  Cu  Cu8  1  0.297  0.250  0.494  1.0
  Cu  Cu9  1  0.726  0.746  0.477  1.0
  Cu  Cu10  1  0.270  0.041  0.808  1.0
  Cu  Cu11  1  0.220  0.522  0.259  1.0
  Cu  Cu12  1  0.044  0.795  0.273  1.0
  Cu  Cu13  1  0.981  0.500  0.481  1.0
  Cu  Cu14  1  0.473  0.745  0.781  1.0
  Cu  Cu15  1  0.209  0.720  0.954  1.0
  O  O16  1  0.743  0.990  0.479  1.0
  O  O17  1  0.278  0.065  0.045  1.0
  O  O18  1  0.014  0.565  0.290  1.0
  O  O19  1  0.504  0.216  0.445  1.0
  O  O20  1  0.024  0.280  0.027  1.0
  O  O21  1  0.447  0.730  0.994  1.0
  O  O22  1  0.750  0.522  0.464  1.0
  O  O23  1  0.076  0.031  0.275  1.0
  F  F24  1  0.756  0.196  0.250  1.0
  F  F25  1  0.781  0.732  0.221  1.0
  F  F26  1  0.444  0.536  0.231  1.0
  F  F27  1  0.717  0.258  0.779  1.0
  F  F28  1  0.936  0.919  0.745  1.0
  F  F29  1  0.198  0.436  0.491  1.0
  F  F30  1  0.578  0.331  0.042  1.0
  F  F31  1  0.270  0.793  0.230  1.0
  F  F32  1  0.947  0.680  0.910  1.0
  F  F33  1  0.513  0.475  0.748  1.0
  F  F34  1  0.482  0.771  0.561  1.0
  F  F35  1  0.214  0.246  0.787  1.0
  F  F36  1  0.757  0.928  0.973  1.0
  F  F37  1  0.010  0.436  0.694  1.0
  F  F38  1  0.310  0.012  0.583  1.0
  F  F39  1  0.228  0.781  0.726  1.0
[/CIF]
.
The compound described by Cu2OF2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(5), one F(1), one F(4), and one F(7) atom to form distorted CuO2F3 trigonal bipyramids that share  a cornercorner with one Cu(3)O2F4 octahedra,  a cornercorner with one Cu(7)O2F4 octahedra,  a cornercorner with one Cu(2)O3F3 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  an edgeedge with one Cu(14)O2F4 octahedra, and  an edgeedge with one Cu(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-62°. In the second Cu site, Cu(2) is bonded to one O(2), one O(5), one O(8), one F(13), one F(5), and one F(9) atom to form distorted CuO3F3 octahedra that share  a cornercorner with one Cu(7)O2F4 octahedra,  a cornercorner with one Cu(1)O2F3 trigonal bipyramid,  a cornercorner with one Cu(9)O2F3 trigonal bipyramid, and  an edgeedge with one Cu(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles are 50°. In the third Cu site, Cu(3) is bonded to one O(1), one O(4), one F(11), one F(15), one F(4), and one F(8) atom to form CuO2F4 octahedra that share  a cornercorner with one Cu(1)O2F3 trigonal bipyramid,  an edgeedge with one Cu(7)O2F4 octahedra,  an edgeedge with one Cu(6)O2F4 pentagonal pyramid, and  an edgeedge with one Cu(9)O2F3 trigonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(6), one F(10), one F(12), one F(2), one F(3), and one F(7) atom to form CuOF5 octahedra that share  a cornercorner with one Cu(7)O2F4 octahedra,  a cornercorner with one Cu(6)O2F4 pentagonal pyramid,  a cornercorner with one Cu(1)O2F3 trigonal bipyramid, and  a cornercorner with one Cu(9)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 43°. In the fifth Cu site, Cu(5) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(7), one F(1), one F(3), and one F(7) atom. In the sixth Cu site, Cu(6) is bonded to one O(1), one O(5), one F(12), one F(14), one F(4), and one F(5) atom to form distorted CuO2F4 pentagonal pyramids that share  a cornercorner with one Cu(14)O2F4 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  an edgeedge with one Cu(3)O2F4 octahedra,  an edgeedge with one Cu(7)O2F4 octahedra,  an edgeedge with one Cu(2)O3F3 octahedra, and  an edgeedge with one Cu(1)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-54°. In the seventh Cu site, Cu(7) is bonded to one O(4), one O(7), one F(10), one F(14), one F(4), and one F(9) atom to form distorted CuO2F4 octahedra that share  a cornercorner with one Cu(2)O3F3 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  a cornercorner with one Cu(1)O2F3 trigonal bipyramid,  an edgeedge with one Cu(14)O2F4 octahedra,  an edgeedge with one Cu(3)O2F4 octahedra,  an edgeedge with one Cu(6)O2F4 pentagonal pyramid, and  an edgeedge with one Cu(9)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-50°. In the eighth Cu site, Cu(8) is bonded in a 6-coordinate geometry to one O(1), one O(6), one O(8), one F(1), one F(13), and one F(2) atom. In the ninth Cu site, Cu(9) is bonded to one O(4), one O(8), one F(10), one F(15), and one F(6) atom to form distorted CuO2F3 trigonal bipyramids that share  a cornercorner with one Cu(14)O2F4 octahedra,  a cornercorner with one Cu(2)O3F3 octahedra,  a cornercorner with one Cu(4)OF5 octahedra,  an edgeedge with one Cu(3)O2F4 octahedra, and  an edgeedge with one Cu(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-64°. In the tenth Cu site, Cu(10) is bonded in a 6-coordinate geometry to one O(1), one O(7), one F(11), one F(2), one F(3), and one F(5) atom. In the eleventh Cu site, Cu(11) is bonded in a 6-coordinate geometry to one O(2), one F(12), one F(15), one F(16), one F(5), and one F(7) atom. In the twelfth Cu site, Cu(12) is bonded in a 6-coordinate geometry to one O(3), one O(5), one F(11), one F(3), one F(6), and one F(8) atom. In the thirteenth Cu site, Cu(13) is bonded in a 5-coordinate geometry to one O(3), one O(8), one F(15), one F(2), and one F(8) atom. In the fourteenth Cu site, Cu(14) is bonded to one O(3), one O(7), one F(1), one F(14), one F(16), and one F(6) atom to form CuO2F4 octahedra that share  a cornercorner with one Cu(6)O2F4 pentagonal pyramid,  a cornercorner with one Cu(9)O2F3 trigonal bipyramid,  an edgeedge with one Cu(7)O2F4 octahedra, and  an edgeedge with one Cu(1)O2F3 trigonal bipyramid. In the fifteenth Cu site, Cu(15) is bonded in a 6-coordinate geometry to one O(6), one F(10), one F(11), one F(13), one F(16), and one F(6) atom. In the sixteenth Cu site, Cu(16) is bonded in a 6-coordinate geometry to one O(2), one O(6), one F(14), one F(16), one F(8), and one F(9) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Cu(10), one Cu(3), one Cu(6), and one Cu(8) atom to form OCu4 tetrahedra that share  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(11), one Cu(16), one Cu(2), and one Cu(5) atom. In the third O site, O(3) is bonded to one Cu(1), one Cu(12), one Cu(13), and one Cu(14) atom to form OCu4 tetrahedra that share  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid,  an edgeedge with one O(5)Cu4 tetrahedra, and  an edgeedge with one F(8)Cu4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Cu(3), one Cu(5), one Cu(7), and one Cu(9) atom to form OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(7)Cu4 tetrahedra,  an edgeedge with one F(10)Cu4 tetrahedra, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the fifth O site, O(5) is bonded to one Cu(1), one Cu(12), one Cu(2), and one Cu(6) atom to form distorted OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(3)Cu4 tetrahedra, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Cu(15), one Cu(16), one Cu(4), and one Cu(8) atom to form distorted OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one F(10)Cu4 tetrahedra, and  an edgeedge with one F(16)Cu4 trigonal pyramid. In the seventh O site, O(7) is bonded to one Cu(10), one Cu(14), one Cu(5), and one Cu(7) atom to form OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid,  an edgeedge with one O(4)Cu4 tetrahedra, and  an edgeedge with one F(14)Cu4 trigonal pyramid. In the eighth O site, O(8) is bonded to one Cu(13), one Cu(2), one Cu(8), and one Cu(9) atom to form distorted OCu4 tetrahedra that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra, and  a cornercorner with one F(8)Cu4 trigonal pyramid. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Cu(14), one Cu(5), and one Cu(8) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Cu(10), one Cu(13), one Cu(4), and one Cu(8) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Cu(10), one Cu(12), one Cu(4), and one Cu(5) atom. In the fourth F site, F(4) is bonded to one Cu(1), one Cu(3), one Cu(6), and one Cu(7) atom to form FCu4 trigonal pyramids that share  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(1)Cu4 tetrahedra,  an edgeedge with one O(4)Cu4 tetrahedra,  an edgeedge with one O(5)Cu4 tetrahedra, and  an edgeedge with one F(14)Cu4 trigonal pyramid. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Cu(10), one Cu(11), one Cu(2), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cu(12), one Cu(14), one Cu(15), and one Cu(9) atom. In the seventh F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(11), one Cu(4), and one Cu(5) atom. In the eighth F site, F(8) is bonded to one Cu(12), one Cu(13), one Cu(16), and one Cu(3) atom to form distorted FCu4 trigonal pyramids that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid, and  an edgeedge with one O(3)Cu4 tetrahedra. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Cu(16), one Cu(2), and one Cu(7) atom. In the tenth F site, F(10) is bonded to one Cu(15), one Cu(4), one Cu(7), and one Cu(9) atom to form distorted FCu4 tetrahedra that share  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one O(8)Cu4 tetrahedra,  a cornercorner with one F(14)Cu4 trigonal pyramid,  a cornercorner with one F(16)Cu4 trigonal pyramid,  a cornercorner with one F(4)Cu4 trigonal pyramid,  an edgeedge with one O(4)Cu4 tetrahedra, and  an edgeedge with one O(6)Cu4 tetrahedra. In the eleventh F site, F(11) is bonded in a distorted rectangular see-saw-like geometry to one Cu(10), one Cu(12), one Cu(15), and one Cu(3) atom. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Cu(11), one Cu(4), and one Cu(6) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Cu(15), one Cu(2), and one Cu(8) atom. In the fourteenth F site, F(14) is bonded to one Cu(14), one Cu(16), one Cu(6), and one Cu(7) atom to form FCu4 trigonal pyramids that share  a cornercorner with one O(1)Cu4 tetrahedra,  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(4)Cu4 tetrahedra,  a cornercorner with one O(5)Cu4 tetrahedra,  a cornercorner with one O(6)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(7)Cu4 tetrahedra,  an edgeedge with one F(16)Cu4 trigonal pyramid, and  an edgeedge with one F(4)Cu4 trigonal pyramid. In the fifteenth F site, F(15) is bonded in a rectangular see-saw-like geometry to one Cu(11), one Cu(13), one Cu(3), and one Cu(9) atom. In the sixteenth F site, F(16) is bonded to one Cu(11), one Cu(14), one Cu(15), and one Cu(16) atom to form FCu4 trigonal pyramids that share  a cornercorner with one O(3)Cu4 tetrahedra,  a cornercorner with one O(7)Cu4 tetrahedra,  a cornercorner with one F(10)Cu4 tetrahedra,  a cornercorner with one F(8)Cu4 trigonal pyramid,  an edgeedge with one O(6)Cu4 tetrahedra, and  an edgeedge with one F(14)Cu4 trigonal pyramid. is represented by the CIF file [CIF]
data_Cu2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.441
_cell_length_b   8.444
_cell_length_c   8.394
_cell_angle_alpha   108.672
_cell_angle_beta   108.712
_cell_angle_gamma   109.919
_symmetry_Int_Tables_number   1
_cell_volume   466.658
_cell_formula_units_Z   8
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  0.821  0.323  0.052  1.0
  Cu  Cu1  1  0.036  0.026  0.036  1.0
  Cu  Cu2  1  0.519  0.005  0.496  1.0
  Cu  Cu3  1  0.474  0.513  0.988  1.0
  Cu  Cu4  1  0.519  0.277  0.249  1.0
  Cu  Cu5  1  0.940  0.188  0.751  1.0
  Cu  Cu6  1  0.730  0.453  0.666  1.0
  Cu  Cu7  1  0.760  0.969  0.244  1.0
  Cu  Cu8  1  0.297  0.250  0.494  1.0
  Cu  Cu9  1  0.726  0.746  0.477  1.0
  Cu  Cu10  1  0.270  0.041  0.808  1.0
  Cu  Cu11  1  0.220  0.522  0.259  1.0
  Cu  Cu12  1  0.044  0.795  0.273  1.0
  Cu  Cu13  1  0.981  0.500  0.481  1.0
  Cu  Cu14  1  0.473  0.745  0.781  1.0
  Cu  Cu15  1  0.209  0.720  0.954  1.0
  O  O16  1  0.743  0.990  0.479  1.0
  O  O17  1  0.278  0.065  0.045  1.0
  O  O18  1  0.014  0.565  0.290  1.0
  O  O19  1  0.504  0.216  0.445  1.0
  O  O20  1  0.024  0.280  0.027  1.0
  O  O21  1  0.447  0.730  0.994  1.0
  O  O22  1  0.750  0.522  0.464  1.0
  O  O23  1  0.076  0.031  0.275  1.0
  F  F24  1  0.756  0.196  0.250  1.0
  F  F25  1  0.781  0.732  0.221  1.0
  F  F26  1  0.444  0.536  0.231  1.0
  F  F27  1  0.717  0.258  0.779  1.0
  F  F28  1  0.936  0.919  0.745  1.0
  F  F29  1  0.198  0.436  0.491  1.0
  F  F30  1  0.578  0.331  0.042  1.0
  F  F31  1  0.270  0.793  0.230  1.0
  F  F32  1  0.947  0.680  0.910  1.0
  F  F33  1  0.513  0.475  0.748  1.0
  F  F34  1  0.482  0.771  0.561  1.0
  F  F35  1  0.214  0.246  0.787  1.0
  F  F36  1  0.757  0.928  0.973  1.0
  F  F37  1  0.010  0.436  0.694  1.0
  F  F38  1  0.310  0.012  0.583  1.0
  F  F39  1  0.228  0.781  0.726  1.0
[/CIF]
.