Ca4PdO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Pd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to one Ca(1), four equivalent Ca(2), and one Pd(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-66°.
Ca4PdO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Ca(1)-O(1) bond lengths are 2.32 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are a spread of Ca(2)-O(1) bond distances ranging from 2.43-2.70 Å. Pd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Pd(1)-O(1) bond lengths are 2.02 Å. O(1) is bonded to one Ca(1), four equivalent Ca(2), and one Pd(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-66°.