The material structure described by CsCu2F6 crystallizes in the tetragonal I4_1/amd space group. Cs(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CsF6 octahedra that share corners with twelve equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. Cu(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent Cs(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_CsCu2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.178
_cell_length_b   7.274
_cell_length_c   7.178
_cell_angle_alpha   59.557
_cell_angle_beta   60.867
_cell_angle_gamma   59.557
_symmetry_Int_Tables_number   1
_cell_volume   264.888
_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
  Cs  Cs0  1  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.000  1.000  0.000  1.0
  Cu  Cu2  1  0.125  0.625  0.625  1.0
  Cu  Cu3  1  0.625  0.625  0.125  1.0
  Cu  Cu4  1  0.625  0.125  0.625  1.0
  Cu  Cu5  1  0.625  0.625  0.625  1.0
  F  F6  1  0.940  0.560  0.560  1.0
  F  F7  1  0.310  0.310  0.690  1.0
  F  F8  1  0.690  0.690  0.310  1.0
  F  F9  1  0.560  0.940  0.940  1.0
  F  F10  1  0.310  0.690  0.690  1.0
  F  F11  1  0.940  0.940  0.560  1.0
  F  F12  1  0.553  0.947  0.553  1.0
  F  F13  1  0.697  0.303  0.697  1.0
  F  F14  1  0.303  0.697  0.303  1.0
  F  F15  1  0.947  0.553  0.947  1.0
  F  F16  1  0.690  0.310  0.310  1.0
  F  F17  1  0.560  0.560  0.940  1.0
[/CIF]
.
The material structure described by CsCu2F6 crystallizes in the tetragonal I4_1/amd space group. Cs(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CsF6 octahedra that share corners with twelve equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. Cu(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent Cs(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_CsCu2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.178
_cell_length_b   7.274
_cell_length_c   7.178
_cell_angle_alpha   59.557
_cell_angle_beta   60.867
_cell_angle_gamma   59.557
_symmetry_Int_Tables_number   1
_cell_volume   264.888
_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
  Cs  Cs0  1  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.000  1.000  0.000  1.0
  Cu  Cu2  1  0.125  0.625  0.625  1.0
  Cu  Cu3  1  0.625  0.625  0.125  1.0
  Cu  Cu4  1  0.625  0.125  0.625  1.0
  Cu  Cu5  1  0.625  0.625  0.625  1.0
  F  F6  1  0.940  0.560  0.560  1.0
  F  F7  1  0.310  0.310  0.690  1.0
  F  F8  1  0.690  0.690  0.310  1.0
  F  F9  1  0.560  0.940  0.940  1.0
  F  F10  1  0.310  0.690  0.690  1.0
  F  F11  1  0.940  0.940  0.560  1.0
  F  F12  1  0.553  0.947  0.553  1.0
  F  F13  1  0.697  0.303  0.697  1.0
  F  F14  1  0.303  0.697  0.303  1.0
  F  F15  1  0.947  0.553  0.947  1.0
  F  F16  1  0.690  0.310  0.310  1.0
  F  F17  1  0.560  0.560  0.940  1.0
[/CIF]
.