Zr5Sn3C crystallizes in the hexagonal P6_3/mcm 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 Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to five equivalent Sn(1) and two equivalent C(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. C(1) is bonded to six equivalent Zr(2) atoms to form face-sharing CZr6 octahedra.
Zr5Sn3C crystallizes in the hexagonal P6_3/mcm 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 Sn(1) atoms. All Zr(1)-Sn(1) bond lengths are 2.97 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to five equivalent Sn(1) and two equivalent C(1) atoms. There are a spread of Zr(2)-Sn(1) bond distances ranging from 2.97-3.32 Å. Both Zr(2)-C(1) bond lengths are 2.37 Å. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. C(1) is bonded to six equivalent Zr(2) atoms to form face-sharing CZr6 octahedra.