Zr4Os2C 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 Os(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Os(1) and two equivalent C(1) atoms. Os(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. C(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 39°.
Zr4Os2C 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 Os(1) atoms. All Zr(1)-Os(1) bond lengths are 2.72 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Os(1) and two equivalent C(1) atoms. Both Zr(2)-Os(1) bond lengths are 2.95 Å. Both Zr(2)-C(1) bond lengths are 2.35 Å. Os(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. C(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 39°.