Ba4PdO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Pd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to one Ba(2), four equivalent Ba(1), and one Pd(1) atom to form a mixture of edge, corner, and face-sharing OBa5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Ba4PdO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are a spread of Ba(1)-O(1) bond distances ranging from 2.74-2.91 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Ba(2)-O(1) bond lengths are 2.63 Å. Pd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Pd(1)-O(1) bond lengths are 2.09 Å. O(1) is bonded to one Ba(2), four equivalent Ba(1), and one Pd(1) atom to form a mixture of edge, corner, and face-sharing OBa5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-60°.