Materials Data on YGeRh2 by Materials Project

Abstract

YRh2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to one Y, nine equivalent Rh, and three equivalent Ge atoms. The Y–Y bond length is 3.32 Å. There are three shorter (3.05 Å) and six longer (3.14 Å) Y–Rh bond lengths. All Y–Ge bond lengths are 3.29 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to one Y, nine equivalent Rh, and three equivalent Ge atoms. The Y–Y bond length is 3.32 Å. There are three shorter (3.05 Å) and six longer (3.14 Å) Y–Rh bond lengths. All Y–Ge bond lengths are 3.29 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to two Y, twelve equivalent Rh, and six Ge atoms. All Y–Rh bond lengths are 3.39 Å. All Y–Ge bond lengths are 3.24 Å. Rh is bonded in a 12-coordinate geometry to five Y, four equivalent Rh, and three Ge atoms. There are two shorter (2.78 Å) and two longer (2.82 Å) Rh–Rh bond lengths. There are a spread of Rh–Ge bond distances ranging from 2.50–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Rh atoms. In the third Ge site, Ge is bonded to six Y and six equivalent Rh atoms to form distorted edge-sharing GeY6Rh6 cuboctahedra.