The material described by CuF2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to six equivalent F(1) atoms to form a mixture of corner and edge-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.291
_cell_length_b   4.523
_cell_length_c   4.613
_cell_angle_alpha   90.000
_cell_angle_beta   97.485
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.092
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  1.000  0.000  1.000  1.0
  F  F2  1  0.469  0.799  0.207  1.0
  F  F3  1  0.031  0.299  0.293  1.0
  F  F4  1  0.969  0.701  0.707  1.0
  F  F5  1  0.531  0.201  0.793  1.0
[/CIF]
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The material described by CuF2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to six equivalent F(1) atoms to form a mixture of corner and edge-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.291
_cell_length_b   4.523
_cell_length_c   4.613
_cell_angle_alpha   90.000
_cell_angle_beta   97.485
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.092
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  1.000  0.000  1.000  1.0
  F  F2  1  0.469  0.799  0.207  1.0
  F  F3  1  0.031  0.299  0.293  1.0
  F  F4  1  0.969  0.701  0.707  1.0
  F  F5  1  0.531  0.201  0.793  1.0
[/CIF]
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