Zr4Ru2N 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 Ru(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ru(1) and two equivalent N(1) atoms. Ru(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 37°.
Zr4Ru2N 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 Ru(1) atoms. All Zr(1)-Ru(1) bond lengths are 2.72 Å. In the second Zr site, Zr(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ru(1) and two equivalent N(1) atoms. Both Zr(2)-Ru(1) bond lengths are 2.88 Å. Both Zr(2)-N(1) bond lengths are 2.32 Å. Ru(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 37°.