The compound described by Cs2CuF6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with four equivalent Cu(1)F6 octahedra. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share faces with eight equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Cs2CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.251
_cell_length_b   6.251
_cell_length_c   6.251
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   172.693
_cell_formula_units_Z   1
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  0.750  0.750  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.207  0.793  0.793  1.0
  F  F4  1  0.207  0.207  0.793  1.0
  F  F5  1  0.793  0.793  0.207  1.0
  F  F6  1  0.207  0.793  0.207  1.0
  F  F7  1  0.793  0.207  0.793  1.0
  F  F8  1  0.793  0.207  0.207  1.0
[/CIF]
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The compound described by Cs2CuF6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with four equivalent Cu(1)F6 octahedra. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share faces with eight equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Cs2CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.251
_cell_length_b   6.251
_cell_length_c   6.251
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   172.693
_cell_formula_units_Z   1
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  0.750  0.750  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.207  0.793  0.793  1.0
  F  F4  1  0.207  0.207  0.793  1.0
  F  F5  1  0.793  0.793  0.207  1.0
  F  F6  1  0.207  0.793  0.207  1.0
  F  F7  1  0.793  0.207  0.793  1.0
  F  F8  1  0.793  0.207  0.207  1.0
[/CIF]
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