The compound described by CuO2F crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one O(2), two equivalent O(1), and three equivalent F(1) atoms to form a mixture of edge and corner-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(1) atom. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.182
_cell_length_b   4.624
_cell_length_c   5.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.756
_cell_formula_units_Z   2
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  0.000  0.676  0.794  1.0
  Cu  Cu1  1  0.500  0.176  0.206  1.0
  O  O2  1  0.000  0.996  0.381  1.0
  O  O3  1  0.500  0.496  0.619  1.0
  O  O4  1  0.500  0.521  0.397  1.0
  O  O5  1  0.000  0.021  0.603  1.0
  F  F6  1  0.000  0.352  0.017  1.0
  F  F7  1  0.500  0.852  0.983  1.0
[/CIF]
.
The compound described by CuO2F crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one O(2), two equivalent O(1), and three equivalent F(1) atoms to form a mixture of edge and corner-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(1) atom. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.182
_cell_length_b   4.624
_cell_length_c   5.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.756
_cell_formula_units_Z   2
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  0.000  0.676  0.794  1.0
  Cu  Cu1  1  0.500  0.176  0.206  1.0
  O  O2  1  0.000  0.996  0.381  1.0
  O  O3  1  0.500  0.496  0.619  1.0
  O  O4  1  0.500  0.521  0.397  1.0
  O  O5  1  0.000  0.021  0.603  1.0
  F  F6  1  0.000  0.352  0.017  1.0
  F  F7  1  0.500  0.852  0.983  1.0
[/CIF]
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