Materials Data on V10(SiGe)3 by Materials Project

Abstract

V10(GeSi)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to two equivalent V, three equivalent Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and one longer (2.50 Å) V–V bond lengths. All V–Ge bond lengths are 2.54 Å. All V–Si bond lengths are 2.52 Å. In the second V site, V is bonded in a 5-coordinate geometry to three equivalent Ge and two equivalent Si atoms. There are two shorter (2.48 Å) and one longer (2.58 Å) V–Ge bond lengths. Both V–Si bond lengths are 2.65 Å. In the third V site, V is bonded in a 5-coordinate geometry to two equivalent Ge and three equivalent Si atoms. Both V–Ge bond lengths are 2.67 Å. There are two shorter (2.46 Å) and one longer (2.62 Å) V–Si bond lengths. Ge is bonded in a 9-coordinate geometry to nine V atoms. Si is bonded in a 9-coordinate geometry to nine V atoms.