The material structure described by CsRb2NbF6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to six equivalent F(1) atoms to form CsF6 octahedra that share corners with six equivalent Nb(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Rb(1) is bonded to twelve equivalent F(1) atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Cs(1)F6 octahedra, and faces with four equivalent Nb(1)F6 octahedra. Nb(1) is bonded to six equivalent F(1) atoms to form NbF6 octahedra that share corners with six equivalent Cs(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a distorted linear geometry to one Cs(1), four equivalent Rb(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_CsRb2NbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   6.936
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   235.996
_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  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.250  0.250  0.250  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.785  0.215  0.215  1.0
  F  F5  1  0.215  0.215  0.785  1.0
  F  F6  1  0.215  0.785  0.785  1.0
  F  F7  1  0.215  0.785  0.215  1.0
  F  F8  1  0.785  0.215  0.785  1.0
  F  F9  1  0.785  0.785  0.215  1.0
[/CIF]
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The material structure described by CsRb2NbF6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to six equivalent F(1) atoms to form CsF6 octahedra that share corners with six equivalent Nb(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Rb(1) is bonded to twelve equivalent F(1) atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Cs(1)F6 octahedra, and faces with four equivalent Nb(1)F6 octahedra. Nb(1) is bonded to six equivalent F(1) atoms to form NbF6 octahedra that share corners with six equivalent Cs(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a distorted linear geometry to one Cs(1), four equivalent Rb(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_CsRb2NbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   6.936
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   235.996
_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  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.250  0.250  0.250  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.785  0.215  0.215  1.0
  F  F5  1  0.215  0.215  0.785  1.0
  F  F6  1  0.215  0.785  0.785  1.0
  F  F7  1  0.215  0.785  0.215  1.0
  F  F8  1  0.785  0.215  0.785  1.0
  F  F9  1  0.785  0.785  0.215  1.0
[/CIF]
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