The compound described by Cs3AuF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Cs site, Cs(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Au(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one Cs(2), and one Cs(3) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), and one Au(1) atom. is represented by the CIF card [CIF]
data_Cs3AuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.748
_cell_length_b   7.786
_cell_length_c   7.730
_cell_angle_alpha   75.916
_cell_angle_beta   101.458
_cell_angle_gamma   125.245
_symmetry_Int_Tables_number   1
_cell_volume   415.940
_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  0.500  1.0
  Cs  Cs1  1  0.500  0.500  0.000  1.0
  Cs  Cs2  1  0.000  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.069  0.248  0.805  1.0
  F  F5  1  0.931  0.752  0.195  1.0
  F  F6  1  0.802  0.682  0.785  1.0
  F  F7  1  0.198  0.318  0.215  1.0
  F  F8  1  0.780  0.991  0.046  1.0
  F  F9  1  0.220  0.009  0.954  1.0
[/CIF]
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The compound described by Cs3AuF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Cs site, Cs(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Au(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one Cs(2), and one Cs(3) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), and one Au(1) atom. is represented by the CIF card [CIF]
data_Cs3AuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.748
_cell_length_b   7.786
_cell_length_c   7.730
_cell_angle_alpha   75.916
_cell_angle_beta   101.458
_cell_angle_gamma   125.245
_symmetry_Int_Tables_number   1
_cell_volume   415.940
_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  0.500  1.0
  Cs  Cs1  1  0.500  0.500  0.000  1.0
  Cs  Cs2  1  0.000  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.069  0.248  0.805  1.0
  F  F5  1  0.931  0.752  0.195  1.0
  F  F6  1  0.802  0.682  0.785  1.0
  F  F7  1  0.198  0.318  0.215  1.0
  F  F8  1  0.780  0.991  0.046  1.0
  F  F9  1  0.220  0.009  0.954  1.0
[/CIF]
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