Zr4Rh2N 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 6-coordinate geometry to six equivalent Rh(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Rh(1) and two equivalent N(1) atoms. Rh(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. N(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 36°.
Zr4Rh2N 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 6-coordinate geometry to six equivalent Rh(1) atoms. All Zr(1)-Rh(1) bond lengths are 2.75 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Rh(1) and two equivalent N(1) atoms. Both Zr(2)-Rh(1) bond lengths are 2.80 Å. Both Zr(2)-N(1) bond lengths are 2.31 Å. Rh(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. N(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 36°.