The material described by Ba4AuAgO6 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Ag(1) atom to form distorted OBa5Ag octahedra that share corners with five equivalent O(1)Ba5Ag octahedra, corners with six equivalent O(3)Ba4AgAu octahedra, edges with two equivalent O(1)Ba5Ag octahedra, edges with six equivalent O(2)Ba5Au octahedra, and faces with two equivalent O(3)Ba4AgAu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the second O site, O(2) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Au(1) atom to form OBa5Au octahedra that share corners with five equivalent O(2)Ba5Au octahedra, corners with six equivalent O(3)Ba4AgAu octahedra, edges with two equivalent O(2)Ba5Au octahedra, edges with six equivalent O(1)Ba5Ag octahedra, and faces with two equivalent O(3)Ba4AgAu octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Au(1), and one Ag(1) atom to form OBa4AgAu octahedra that share  a cornercorner with one O(3)Ba4AgAu octahedra, corners with six equivalent O(1)Ba5Ag octahedra, corners with six equivalent O(2)Ba5Au octahedra,  an edgeedge with one O(3)Ba4AgAu octahedra,  a faceface with one O(3)Ba4AgAu octahedra, faces with two equivalent O(1)Ba5Ag octahedra, and faces with two equivalent O(2)Ba5Au octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4AgAuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.325
_cell_length_c   11.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.500
_symmetry_Int_Tables_number   1
_cell_volume   460.082
_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
  Ba  Ba0  1  0.213  0.921  0.750  1.0
  Ba  Ba1  1  0.646  0.354  0.500  1.0
  Ba  Ba2  1  0.787  0.079  0.250  1.0
  Ba  Ba3  1  0.921  0.213  0.750  1.0
  Ba  Ba4  1  0.079  0.787  0.250  1.0
  Ba  Ba5  1  0.354  0.646  0.000  1.0
  Ba  Ba6  1  0.354  0.646  0.500  1.0
  Ba  Ba7  1  0.646  0.354  0.000  1.0
  Ag  Ag8  1  0.403  0.403  0.250  1.0
  Ag  Ag9  1  0.597  0.597  0.750  1.0
  Au  Au10  1  0.000  0.000  0.000  1.0
  Au  Au11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.239  0.559  0.250  1.0
  O  O13  1  0.155  0.845  0.500  1.0
  O  O14  1  0.559  0.239  0.250  1.0
  O  O15  1  0.730  0.730  0.391  1.0
  O  O16  1  0.155  0.845  0.000  1.0
  O  O17  1  0.845  0.155  0.000  1.0
  O  O18  1  0.441  0.761  0.750  1.0
  O  O19  1  0.761  0.441  0.750  1.0
  O  O20  1  0.730  0.730  0.109  1.0
  O  O21  1  0.845  0.155  0.500  1.0
  O  O22  1  0.270  0.270  0.609  1.0
  O  O23  1  0.270  0.270  0.891  1.0
[/CIF]
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The material described by Ba4AuAgO6 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Ag(1) atom to form distorted OBa5Ag octahedra that share corners with five equivalent O(1)Ba5Ag octahedra, corners with six equivalent O(3)Ba4AgAu octahedra, edges with two equivalent O(1)Ba5Ag octahedra, edges with six equivalent O(2)Ba5Au octahedra, and faces with two equivalent O(3)Ba4AgAu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the second O site, O(2) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Au(1) atom to form OBa5Au octahedra that share corners with five equivalent O(2)Ba5Au octahedra, corners with six equivalent O(3)Ba4AgAu octahedra, edges with two equivalent O(2)Ba5Au octahedra, edges with six equivalent O(1)Ba5Ag octahedra, and faces with two equivalent O(3)Ba4AgAu octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Au(1), and one Ag(1) atom to form OBa4AgAu octahedra that share  a cornercorner with one O(3)Ba4AgAu octahedra, corners with six equivalent O(1)Ba5Ag octahedra, corners with six equivalent O(2)Ba5Au octahedra,  an edgeedge with one O(3)Ba4AgAu octahedra,  a faceface with one O(3)Ba4AgAu octahedra, faces with two equivalent O(1)Ba5Ag octahedra, and faces with two equivalent O(2)Ba5Au octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4AgAuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.325
_cell_length_c   11.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.500
_symmetry_Int_Tables_number   1
_cell_volume   460.082
_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
  Ba  Ba0  1  0.213  0.921  0.750  1.0
  Ba  Ba1  1  0.646  0.354  0.500  1.0
  Ba  Ba2  1  0.787  0.079  0.250  1.0
  Ba  Ba3  1  0.921  0.213  0.750  1.0
  Ba  Ba4  1  0.079  0.787  0.250  1.0
  Ba  Ba5  1  0.354  0.646  0.000  1.0
  Ba  Ba6  1  0.354  0.646  0.500  1.0
  Ba  Ba7  1  0.646  0.354  0.000  1.0
  Ag  Ag8  1  0.403  0.403  0.250  1.0
  Ag  Ag9  1  0.597  0.597  0.750  1.0
  Au  Au10  1  0.000  0.000  0.000  1.0
  Au  Au11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.239  0.559  0.250  1.0
  O  O13  1  0.155  0.845  0.500  1.0
  O  O14  1  0.559  0.239  0.250  1.0
  O  O15  1  0.730  0.730  0.391  1.0
  O  O16  1  0.155  0.845  0.000  1.0
  O  O17  1  0.845  0.155  0.000  1.0
  O  O18  1  0.441  0.761  0.750  1.0
  O  O19  1  0.761  0.441  0.750  1.0
  O  O20  1  0.730  0.730  0.109  1.0
  O  O21  1  0.845  0.155  0.500  1.0
  O  O22  1  0.270  0.270  0.609  1.0
  O  O23  1  0.270  0.270  0.891  1.0
[/CIF]
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