The compound described by Cu2OF2 crystallizes in the tetragonal I4_1/amd space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent F(1) atoms. O(1) is bonded to four equivalent Cu(1) atoms to form corner-sharing OCu4 tetrahedra. F(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   6.490
_cell_angle_alpha   127.841
_cell_angle_beta   127.841
_cell_angle_gamma   76.883
_symmetry_Int_Tables_number   1
_cell_volume   165.484
_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  0.875  0.125  0.750  1.0
  Cu  Cu1  1  0.375  0.125  0.250  1.0
  Cu  Cu2  1  0.875  0.125  0.250  1.0
  Cu  Cu3  1  0.875  0.625  0.750  1.0
  O  O4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.254  0.254  0.000  1.0
  F  F7  1  0.004  0.504  0.500  1.0
  F  F8  1  0.746  0.746  0.000  1.0
  F  F9  1  0.496  0.996  0.500  1.0
[/CIF]
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The compound described by Cu2OF2 crystallizes in the tetragonal I4_1/amd space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent F(1) atoms. O(1) is bonded to four equivalent Cu(1) atoms to form corner-sharing OCu4 tetrahedra. F(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   6.490
_cell_angle_alpha   127.841
_cell_angle_beta   127.841
_cell_angle_gamma   76.883
_symmetry_Int_Tables_number   1
_cell_volume   165.484
_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  0.875  0.125  0.750  1.0
  Cu  Cu1  1  0.375  0.125  0.250  1.0
  Cu  Cu2  1  0.875  0.125  0.250  1.0
  Cu  Cu3  1  0.875  0.625  0.750  1.0
  O  O4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.254  0.254  0.000  1.0
  F  F7  1  0.004  0.504  0.500  1.0
  F  F8  1  0.746  0.746  0.000  1.0
  F  F9  1  0.496  0.996  0.500  1.0
[/CIF]
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