The compound described by Cs2NbF6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Nb(1)F6 octahedra, faces with eight equivalent Cs(1)F12 cuboctahedra, and faces with three equivalent Nb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 19°. Nb(1) is bonded to six equivalent F(1) atoms to form NbF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra and faces with six equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_Cs2NbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.409
_cell_length_b   6.409
_cell_length_c   4.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.193
_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  0.667  0.333  0.302  1.0
  Cs  Cs1  1  0.333  0.667  0.698  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.845  0.155  0.788  1.0
  F  F4  1  0.845  0.689  0.788  1.0
  F  F5  1  0.311  0.155  0.788  1.0
  F  F6  1  0.155  0.845  0.212  1.0
  F  F7  1  0.155  0.311  0.212  1.0
  F  F8  1  0.689  0.845  0.212  1.0
[/CIF]
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The compound described by Cs2NbF6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Nb(1)F6 octahedra, faces with eight equivalent Cs(1)F12 cuboctahedra, and faces with three equivalent Nb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 19°. Nb(1) is bonded to six equivalent F(1) atoms to form NbF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra and faces with six equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_Cs2NbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.409
_cell_length_b   6.409
_cell_length_c   4.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.193
_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  0.667  0.333  0.302  1.0
  Cs  Cs1  1  0.333  0.667  0.698  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.845  0.155  0.788  1.0
  F  F4  1  0.845  0.689  0.788  1.0
  F  F5  1  0.311  0.155  0.788  1.0
  F  F6  1  0.155  0.845  0.212  1.0
  F  F7  1  0.155  0.311  0.212  1.0
  F  F8  1  0.689  0.845  0.212  1.0
[/CIF]
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