The crystal structure described by Cs2AuBiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Au(1)F6 octahedra, and faces with four equivalent Bi(1)F6 octahedra. Au(1) is bonded to six equivalent F(1) atoms to form AuF6 octahedra that share corners with six equivalent Bi(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent F(1) atoms to form BiF6 octahedra that share corners with six equivalent Au(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent Cs(1), one Au(1), and one Bi(1) atom to form a mixture of distorted edge, face, and corner-sharing FCs4BiAu octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Cs2BiAuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   6.784
_cell_length_c   6.784
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   220.741
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.237  0.763  0.237  1.0
  F  F5  1  0.763  0.763  0.237  1.0
  F  F6  1  0.763  0.237  0.763  1.0
  F  F7  1  0.763  0.237  0.237  1.0
  F  F8  1  0.237  0.763  0.763  1.0
  F  F9  1  0.237  0.237  0.763  1.0
[/CIF]
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The crystal structure described by Cs2AuBiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Au(1)F6 octahedra, and faces with four equivalent Bi(1)F6 octahedra. Au(1) is bonded to six equivalent F(1) atoms to form AuF6 octahedra that share corners with six equivalent Bi(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent F(1) atoms to form BiF6 octahedra that share corners with six equivalent Au(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent Cs(1), one Au(1), and one Bi(1) atom to form a mixture of distorted edge, face, and corner-sharing FCs4BiAu octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Cs2BiAuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   6.784
_cell_length_c   6.784
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   220.741
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.237  0.763  0.237  1.0
  F  F5  1  0.763  0.763  0.237  1.0
  F  F6  1  0.763  0.237  0.763  1.0
  F  F7  1  0.763  0.237  0.237  1.0
  F  F8  1  0.237  0.763  0.763  1.0
  F  F9  1  0.237  0.237  0.763  1.0
[/CIF]
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