The crystal structure described by CsNbF6 crystallizes in the trigonal R-3 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with six equivalent Nb(1)F6 octahedra, edges with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Nb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 two equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_CsNbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.264
_cell_length_c   5.264
_cell_angle_alpha   96.368
_cell_angle_beta   96.368
_cell_angle_gamma   96.368
_symmetry_Int_Tables_number   1
_cell_volume   142.937
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.422  0.690  0.811  1.0
  F  F3  1  0.690  0.811  0.422  1.0
  F  F4  1  0.189  0.578  0.310  1.0
  F  F5  1  0.310  0.189  0.578  1.0
  F  F6  1  0.578  0.310  0.189  1.0
  F  F7  1  0.811  0.422  0.690  1.0
[/CIF]
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The crystal structure described by CsNbF6 crystallizes in the trigonal R-3 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with six equivalent Nb(1)F6 octahedra, edges with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Nb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 two equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_CsNbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.264
_cell_length_c   5.264
_cell_angle_alpha   96.368
_cell_angle_beta   96.368
_cell_angle_gamma   96.368
_symmetry_Int_Tables_number   1
_cell_volume   142.937
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.422  0.690  0.811  1.0
  F  F3  1  0.690  0.811  0.422  1.0
  F  F4  1  0.189  0.578  0.310  1.0
  F  F5  1  0.310  0.189  0.578  1.0
  F  F6  1  0.578  0.310  0.189  1.0
  F  F7  1  0.811  0.422  0.690  1.0
[/CIF]
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