Materials Data on Nb4Zn2C by Materials Project
Nb4Zn2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted bent 150 degrees geometry to four equivalent Zn and two equivalent C atoms. There are two shorter (2.74 Å) and two longer (3.04 Å) Nb–Zn bond lengths. Both Nb–C bond lengths are 2.25 Å. In the second Nb site, Nb is bonded to six equivalent Zn atoms to form distorted edge-sharing NbZn6 cuboctahedra. All Nb–Zn bond lengths are 2.63 Å. Zn is bonded in a 12-coordinate geometry to nine Nb and three equivalent Zn atoms. All Zn–Zn bond lengths are 3.02 Å. C is bonded to six equivalent Nb atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 40°.