The material described by Cu3F crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to eight Cu(1,1) and four equivalent F(1) atoms. In the second Cu site, Cu(1) is bonded in a 12-coordinate geometry to eight Cu(1,1) and four equivalent F(1) atoms. F(1) is bonded to twelve Cu(1,1) atoms to form a mixture of face and corner-sharing FCu12 cuboctahedra. is represented by the CIF card [CIF]
data_Cu3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.199
_cell_length_b   5.199
_cell_length_c   4.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.090
_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  0.163  0.327  0.250  1.0
  Cu  Cu1  1  0.673  0.837  0.250  1.0
  Cu  Cu2  1  0.163  0.837  0.250  1.0
  Cu  Cu3  1  0.837  0.673  0.750  1.0
  Cu  Cu4  1  0.327  0.163  0.750  1.0
  Cu  Cu5  1  0.837  0.163  0.750  1.0
  F  F6  1  0.333  0.667  0.750  1.0
  F  F7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The material described by Cu3F crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to eight Cu(1,1) and four equivalent F(1) atoms. In the second Cu site, Cu(1) is bonded in a 12-coordinate geometry to eight Cu(1,1) and four equivalent F(1) atoms. F(1) is bonded to twelve Cu(1,1) atoms to form a mixture of face and corner-sharing FCu12 cuboctahedra. is represented by the CIF card [CIF]
data_Cu3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.199
_cell_length_b   5.199
_cell_length_c   4.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.090
_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  0.163  0.327  0.250  1.0
  Cu  Cu1  1  0.673  0.837  0.250  1.0
  Cu  Cu2  1  0.163  0.837  0.250  1.0
  Cu  Cu3  1  0.837  0.673  0.750  1.0
  Cu  Cu4  1  0.327  0.163  0.750  1.0
  Cu  Cu5  1  0.837  0.163  0.750  1.0
  F  F6  1  0.333  0.667  0.750  1.0
  F  F7  1  0.667  0.333  0.250  1.0
[/CIF]
.