The material described by Cs2CoF6 crystallizes in the trigonal R-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form distorted 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 Co(1)F6 octahedra. Co(1) is bonded to six equivalent F(1) atoms to form CoF6 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 Co(1) atom. is represented by the CIF file [CIF]
data_Cs2CoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.253
_cell_length_b   6.253
_cell_length_c   6.252
_cell_angle_alpha   60.178
_cell_angle_beta   60.177
_cell_angle_gamma   60.208
_symmetry_Int_Tables_number   1
_cell_volume   173.561
_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  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Co  Co2  1  1.000  0.000  0.000  1.0
  F  F3  1  0.203  0.797  0.797  1.0
  F  F4  1  0.203  0.797  0.203  1.0
  F  F5  1  0.797  0.203  0.797  1.0
  F  F6  1  0.797  0.203  0.203  1.0
  F  F7  1  0.797  0.797  0.203  1.0
  F  F8  1  0.203  0.203  0.797  1.0
[/CIF]
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The material described by Cs2CoF6 crystallizes in the trigonal R-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form distorted 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 Co(1)F6 octahedra. Co(1) is bonded to six equivalent F(1) atoms to form CoF6 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 Co(1) atom. is represented by the CIF file [CIF]
data_Cs2CoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.253
_cell_length_b   6.253
_cell_length_c   6.252
_cell_angle_alpha   60.178
_cell_angle_beta   60.177
_cell_angle_gamma   60.208
_symmetry_Int_Tables_number   1
_cell_volume   173.561
_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  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Co  Co2  1  1.000  0.000  0.000  1.0
  F  F3  1  0.203  0.797  0.797  1.0
  F  F4  1  0.203  0.797  0.203  1.0
  F  F5  1  0.797  0.203  0.797  1.0
  F  F6  1  0.797  0.203  0.203  1.0
  F  F7  1  0.797  0.797  0.203  1.0
  F  F8  1  0.203  0.203  0.797  1.0
[/CIF]
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