The crystal structure described by Cs2AuAgCl6 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Cl(1) and eight equivalent Cl(2) atoms to form distorted CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with four equivalent Ag(1)Cl6 octahedra. Au(1) is bonded in a square co-planar geometry to four equivalent Cl(2) atoms. Ag(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form AgCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Ag(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1), one Au(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing ClCs4AgAu octahedra. The corner-sharing octahedral tilt angles range from 0-57°. is represented by the CIF card [CIF]
data_Cs2AgAuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   7.776
_cell_length_c   7.776
_cell_angle_alpha   122.708
_cell_angle_beta   122.708
_cell_angle_gamma   85.370
_symmetry_Int_Tables_number   1
_cell_volume   317.733
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.290  0.290  0.000  1.0
  Cl  Cl5  1  0.776  0.224  0.000  1.0
  Cl  Cl6  1  0.224  0.776  0.000  1.0
  Cl  Cl7  1  0.776  0.776  0.552  1.0
  Cl  Cl8  1  0.710  0.710  0.000  1.0
  Cl  Cl9  1  0.224  0.224  0.448  1.0
[/CIF]
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The crystal structure described by Cs2AuAgCl6 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Cl(1) and eight equivalent Cl(2) atoms to form distorted CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with four equivalent Ag(1)Cl6 octahedra. Au(1) is bonded in a square co-planar geometry to four equivalent Cl(2) atoms. Ag(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form AgCl6 octahedra that share faces with eight equivalent Cs(1)Cl12 cuboctahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Ag(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1), one Au(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing ClCs4AgAu octahedra. The corner-sharing octahedral tilt angles range from 0-57°. is represented by the CIF card [CIF]
data_Cs2AgAuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   7.776
_cell_length_c   7.776
_cell_angle_alpha   122.708
_cell_angle_beta   122.708
_cell_angle_gamma   85.370
_symmetry_Int_Tables_number   1
_cell_volume   317.733
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.290  0.290  0.000  1.0
  Cl  Cl5  1  0.776  0.224  0.000  1.0
  Cl  Cl6  1  0.224  0.776  0.000  1.0
  Cl  Cl7  1  0.776  0.776  0.552  1.0
  Cl  Cl8  1  0.710  0.710  0.000  1.0
  Cl  Cl9  1  0.224  0.224  0.448  1.0
[/CIF]
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