Zr4Pd2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pd(1) and two equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 35°.
Zr4Pd2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pd(1) and two equivalent O(1) atoms. Both Zr(1)-Pd(1) bond lengths are 2.83 Å. Both Zr(1)-O(1) bond lengths are 2.32 Å. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. All Zr(2)-Pd(1) bond lengths are 2.77 Å. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 35°.