The compound described by Cs2NaGaF6 crystallizes in the trigonal R-3m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to three equivalent F(2) and nine equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with three equivalent Cs(2)F12 cuboctahedra, corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Ga(2)F6 octahedra, faces with three equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Ga(1)F6 octahedra, and faces with four equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Cs site, Cs(2) is bonded to three equivalent F(1) and nine equivalent F(2) atoms to form distorted CsF12 cuboctahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with six equivalent Cs(2)F12 cuboctahedra, corners with three equivalent Na(1)F6 octahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra,  a faceface with one Ga(1)F6 octahedra, faces with three equivalent Na(1)F6 octahedra, and faces with three equivalent Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles are 2°. Na(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form distorted NaF6 octahedra that share corners with three equivalent Cs(2)F12 cuboctahedra, corners with three equivalent Ga(1)F6 octahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra, and  a faceface with one Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Na(1)F6 octahedra, faces with two equivalent Cs(2)F12 cuboctahedra, and faces with six equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. In the second Ga site, Ga(2) is bonded to six equivalent F(2) atoms to form GaF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(2)F12 cuboctahedra, and faces with two equivalent Na(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Cs(2), three equivalent Cs(1), one Na(1), and one Ga(1) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Cs(1), three equivalent Cs(2), one Na(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Cs2NaGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.913
_cell_length_b   10.913
_cell_length_c   10.913
_cell_angle_alpha   33.802
_cell_angle_beta   33.802
_cell_angle_gamma   33.802
_symmetry_Int_Tables_number   1
_cell_volume   358.438
_cell_formula_units_Z   2
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  0.718  0.718  0.718  1.0
  Cs  Cs1  1  0.282  0.282  0.282  1.0
  Cs  Cs2  1  0.872  0.872  0.872  1.0
  Cs  Cs3  1  0.128  0.128  0.128  1.0
  Na  Na4  1  0.403  0.403  0.403  1.0
  Na  Na5  1  0.597  0.597  0.597  1.0
  Ga  Ga6  1  0.000  0.000  0.000  1.0
  Ga  Ga7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.181  0.181  0.745  1.0
  F  F9  1  0.745  0.181  0.181  1.0
  F  F10  1  0.181  0.745  0.181  1.0
  F  F11  1  0.819  0.255  0.819  1.0
  F  F12  1  0.819  0.819  0.255  1.0
  F  F13  1  0.255  0.819  0.819  1.0
  F  F14  1  0.397  0.397  0.820  1.0
  F  F15  1  0.820  0.397  0.397  1.0
  F  F16  1  0.180  0.603  0.603  1.0
  F  F17  1  0.603  0.603  0.180  1.0
  F  F18  1  0.603  0.180  0.603  1.0
  F  F19  1  0.397  0.820  0.397  1.0
[/CIF]
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The compound described by Cs2NaGaF6 crystallizes in the trigonal R-3m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to three equivalent F(2) and nine equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with three equivalent Cs(2)F12 cuboctahedra, corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Ga(2)F6 octahedra, faces with three equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Cs(2)F12 cuboctahedra, faces with three equivalent Ga(1)F6 octahedra, and faces with four equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Cs site, Cs(2) is bonded to three equivalent F(1) and nine equivalent F(2) atoms to form distorted CsF12 cuboctahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with six equivalent Cs(2)F12 cuboctahedra, corners with three equivalent Na(1)F6 octahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra,  a faceface with one Ga(1)F6 octahedra, faces with three equivalent Na(1)F6 octahedra, and faces with three equivalent Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles are 2°. Na(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form distorted NaF6 octahedra that share corners with three equivalent Cs(2)F12 cuboctahedra, corners with three equivalent Ga(1)F6 octahedra, faces with three equivalent Cs(2)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra, and  a faceface with one Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Na(1)F6 octahedra, faces with two equivalent Cs(2)F12 cuboctahedra, and faces with six equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. In the second Ga site, Ga(2) is bonded to six equivalent F(2) atoms to form GaF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(2)F12 cuboctahedra, and faces with two equivalent Na(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Cs(2), three equivalent Cs(1), one Na(1), and one Ga(1) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Cs(1), three equivalent Cs(2), one Na(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Cs2NaGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.913
_cell_length_b   10.913
_cell_length_c   10.913
_cell_angle_alpha   33.802
_cell_angle_beta   33.802
_cell_angle_gamma   33.802
_symmetry_Int_Tables_number   1
_cell_volume   358.438
_cell_formula_units_Z   2
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  0.718  0.718  0.718  1.0
  Cs  Cs1  1  0.282  0.282  0.282  1.0
  Cs  Cs2  1  0.872  0.872  0.872  1.0
  Cs  Cs3  1  0.128  0.128  0.128  1.0
  Na  Na4  1  0.403  0.403  0.403  1.0
  Na  Na5  1  0.597  0.597  0.597  1.0
  Ga  Ga6  1  0.000  0.000  0.000  1.0
  Ga  Ga7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.181  0.181  0.745  1.0
  F  F9  1  0.745  0.181  0.181  1.0
  F  F10  1  0.181  0.745  0.181  1.0
  F  F11  1  0.819  0.255  0.819  1.0
  F  F12  1  0.819  0.819  0.255  1.0
  F  F13  1  0.255  0.819  0.819  1.0
  F  F14  1  0.397  0.397  0.820  1.0
  F  F15  1  0.820  0.397  0.397  1.0
  F  F16  1  0.180  0.603  0.603  1.0
  F  F17  1  0.603  0.603  0.180  1.0
  F  F18  1  0.603  0.180  0.603  1.0
  F  F19  1  0.397  0.820  0.397  1.0
[/CIF]
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