Materials Data on VCrGeC by Materials Project

Abstract

(Cr0.5V0.5)2GeC is MAX Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All V–Ge bond lengths are 2.66 Å. All V–C bond lengths are 2.03 Å. Cr is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All Cr–Ge bond lengths are 2.59 Å. All Cr–C bond lengths are 1.99 Å. Ge is bonded in a 12-coordinate geometry to three equivalent V and three equivalent Cr atoms. There are two inequivalent C sites. In the first C site, C is bonded to six equivalent Cr atoms to form edge-sharing CCr6 octahedra. In the second C site, C is bonded to six equivalent V atoms to form edge-sharing CV6 octahedra.