The crystal structure described by CuOHF crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted edge-sharing CuO3F3 octahedra. H(1) is bonded in a distorted linear geometry to one O(1) and one F(1) atom. O(1) is bonded to three equivalent Cu(1) and one H(1) atom to form a mixture of distorted corner and edge-sharing OCu3H tetrahedra. F(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cu(1) and one H(1) atom. is represented by the CIF file [CIF]
data_CuHOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   5.041
_cell_length_c   5.283
_cell_angle_alpha   66.439
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.941
_cell_formula_units_Z   4
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  0.379  0.011  0.757  1.0
  Cu  Cu1  1  0.879  0.989  0.743  1.0
  Cu  Cu2  1  0.621  0.989  0.243  1.0
  Cu  Cu3  1  0.121  0.011  0.257  1.0
  H  H4  1  0.137  0.610  0.750  1.0
  H  H5  1  0.637  0.390  0.750  1.0
  H  H6  1  0.863  0.390  0.250  1.0
  H  H7  1  0.363  0.610  0.250  1.0
  O  O8  1  0.362  0.826  0.164  1.0
  O  O9  1  0.862  0.174  0.336  1.0
  O  O10  1  0.638  0.174  0.836  1.0
  O  O11  1  0.138  0.826  0.664  1.0
  F  F12  1  0.387  0.273  0.370  1.0
  F  F13  1  0.887  0.727  0.130  1.0
  F  F14  1  0.613  0.727  0.630  1.0
  F  F15  1  0.113  0.273  0.870  1.0
[/CIF]
.
The crystal structure described by CuOHF crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted edge-sharing CuO3F3 octahedra. H(1) is bonded in a distorted linear geometry to one O(1) and one F(1) atom. O(1) is bonded to three equivalent Cu(1) and one H(1) atom to form a mixture of distorted corner and edge-sharing OCu3H tetrahedra. F(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cu(1) and one H(1) atom. is represented by the CIF file [CIF]
data_CuHOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   5.041
_cell_length_c   5.283
_cell_angle_alpha   66.439
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.941
_cell_formula_units_Z   4
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  0.379  0.011  0.757  1.0
  Cu  Cu1  1  0.879  0.989  0.743  1.0
  Cu  Cu2  1  0.621  0.989  0.243  1.0
  Cu  Cu3  1  0.121  0.011  0.257  1.0
  H  H4  1  0.137  0.610  0.750  1.0
  H  H5  1  0.637  0.390  0.750  1.0
  H  H6  1  0.863  0.390  0.250  1.0
  H  H7  1  0.363  0.610  0.250  1.0
  O  O8  1  0.362  0.826  0.164  1.0
  O  O9  1  0.862  0.174  0.336  1.0
  O  O10  1  0.638  0.174  0.836  1.0
  O  O11  1  0.138  0.826  0.664  1.0
  F  F12  1  0.387  0.273  0.370  1.0
  F  F13  1  0.887  0.727  0.130  1.0
  F  F14  1  0.613  0.727  0.630  1.0
  F  F15  1  0.113  0.273  0.870  1.0
[/CIF]
.