The material described by CsRb2GaF6 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 Ga(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 Ga(1)F6 octahedra. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 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 2-coordinate geometry to one Cs(1), four equivalent Rb(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsRb2GaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.684
_cell_length_b   6.684
_cell_length_c   6.684
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   211.144
_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
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.796  0.204  0.204  1.0
  F  F5  1  0.204  0.204  0.796  1.0
  F  F6  1  0.204  0.796  0.796  1.0
  F  F7  1  0.204  0.796  0.204  1.0
  F  F8  1  0.796  0.204  0.796  1.0
  F  F9  1  0.796  0.796  0.204  1.0
[/CIF]
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The material described by CsRb2GaF6 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 Ga(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 Ga(1)F6 octahedra. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 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 2-coordinate geometry to one Cs(1), four equivalent Rb(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsRb2GaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.684
_cell_length_b   6.684
_cell_length_c   6.684
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   211.144
_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
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.796  0.204  0.204  1.0
  F  F5  1  0.204  0.204  0.796  1.0
  F  F6  1  0.204  0.796  0.796  1.0
  F  F7  1  0.204  0.796  0.204  1.0
  F  F8  1  0.796  0.204  0.796  1.0
  F  F9  1  0.796  0.796  0.204  1.0
[/CIF]
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