data_Cd2AuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AuO4
_chemical_formula_sum   'Cd4 Au2 O8'
_cell_volume   199.53
_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
  Cd  Cd2  1  0.48  0.48  0.8  1.0
  Cd  Cd3  1  0.48  0.8  0.48  1.0
  Cd  Cd4  1  0.8  0.8  0.8  1.0
  Cd  Cd5  1  0.8  0.48  0.48  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.32  0.32  0.32  1.0
  O  O6  1  0.52  0.75  0.75  1.0
  O  O7  1  0.52  0.52  0.52  1.0
  O  O8  1  0.75  0.52  0.75  1.0
  O  O9  1  0.84  0.84  0.07  1.0
  O  O10  1  0.75  0.75  0.52  1.0
  O  O11  1  0.84  0.07  0.84  1.0
  O  O12  1  0.07  0.07  0.07  1.0
  O  O13  1  0.07  0.84  0.84  1.0

data_Cd2AuO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   16.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd2AuO4
_chemical_formula_sum   'Cd12 Au6 O24'
_cell_volume   598.6
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cd  Cd0  9  0.11  0.21  0.42  1.0
  Cd  Cd1  3  0.0  0.0  0.2  1.0
  Au  Au2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.68  1.0
  O  O4  9  0.08  0.15  0.08  1.0
  O  O5  9  0.15  0.08  0.32  1.0
  O  O6  3  0.0  0.0  0.48  1.0
  O  O7  3  0.0  0.0  0.93  1.0

Cd Cd Cd Cd Au Au O O O O O O O O
AuCd2O4 crystallizes in the trigonal R3m space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to one O(4) and three equivalent O(3) atoms. The Au(1)-O(4) bond length is 1.15 Å. All Au(1)-O(3) bond lengths are 1.57 Å. In the second Au site, Au(2) is bonded in a trigonal non-coplanar geometry to three equivalent Cd(1) atoms. All Au(2)-Cd(1) bond lengths are 2.80 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one Au(2), one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Cd(1)-O(2) bond length is 1.56 Å. Both Cd(1)-O(1) bond lengths are 1.82 Å. Both Cd(1)-O(3) bond lengths are 2.54 Å. In the second Cd site, Cd(2) is bonded in a distorted octahedral geometry to three equivalent O(1) and three equivalent O(3) atoms. All Cd(2)-O(1) bond lengths are 2.13 Å. All Cd(2)-O(3) bond lengths are 2.13 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Cd(2), two equivalent Cd(1), and two equivalent O(1) atoms. Both O(1)-O(1) bond lengths are 1.51 Å. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Cd(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Au(1), one Cd(2), two equivalent Cd(1), and two equivalent O(3) atoms. Both O(3)-O(3) bond lengths are 1.51 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one Au(1) atom.