The material structure described by CuO2F crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one O(1), two equivalent O(2), and three equivalent F(1) atoms to form a mixture of corner and edge-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 bent 120 degrees geometry to one Cu(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one O(2) 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   6.513
_cell_length_b   6.513
_cell_length_c   6.513
_cell_angle_alpha   152.398
_cell_angle_beta   135.378
_cell_angle_gamma   53.277
_symmetry_Int_Tables_number   1
_cell_volume   89.470
_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  0.945  0.352  0.593  1.0
  Cu  Cu1  1  0.242  0.648  0.593  1.0
  O  O2  1  0.820  0.555  0.265  1.0
  O  O3  1  0.710  0.445  0.265  1.0
  O  O4  1  0.204  0.943  0.262  1.0
  O  O5  1  0.319  0.057  0.262  1.0
  F  F6  1  0.171  0.246  0.925  1.0
  F  F7  1  0.679  0.754  0.925  1.0
[/CIF]
.
The material structure described by CuO2F crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one O(1), two equivalent O(2), and three equivalent F(1) atoms to form a mixture of corner and edge-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 bent 120 degrees geometry to one Cu(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one O(2) 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   6.513
_cell_length_b   6.513
_cell_length_c   6.513
_cell_angle_alpha   152.398
_cell_angle_beta   135.378
_cell_angle_gamma   53.277
_symmetry_Int_Tables_number   1
_cell_volume   89.470
_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  0.945  0.352  0.593  1.0
  Cu  Cu1  1  0.242  0.648  0.593  1.0
  O  O2  1  0.820  0.555  0.265  1.0
  O  O3  1  0.710  0.445  0.265  1.0
  O  O4  1  0.204  0.943  0.262  1.0
  O  O5  1  0.319  0.057  0.262  1.0
  F  F6  1  0.171  0.246  0.925  1.0
  F  F7  1  0.679  0.754  0.925  1.0
[/CIF]
.