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°.
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. Both Ba(1)-O(2) bond lengths are 2.94 Å. Both Ba(1)-O(3) bond lengths are 2.82 Å. There are a spread of Ba(1)-O(1) bond distances ranging from 2.61-3.15 Å. 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. Both Ba(2)-O(1) bond lengths are 2.97 Å. Both Ba(2)-O(3) bond lengths are 2.70 Å. There is one shorter (2.67 Å) and two longer (2.95 Å) Ba(2)-O(2) bond lengths. Au(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Au(1)-O(2) bond lengths are 2.07 Å. Both Au(1)-O(3) bond lengths are 2.04 Å. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Ag(1)-O(1) bond lengths are 2.15 Å. Both Ag(1)-O(3) bond lengths are 2.53 Å. 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°.