Materials Data on Y3(Al3Os)4 by Materials Project

Abstract

Y3(OsAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to four equivalent Os and eleven Al atoms. All Y–Os bond lengths are 3.38 Å. There are a spread of Y–Al bond distances ranging from 2.96–3.22 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.39 Å) and six longer (2.60 Å) Os–Al bond lengths. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Y and eight Al atoms. There are four shorter (2.56 Å) and four longer (2.69 Å) Os–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y and three equivalent Os atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y and three Os atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent Os atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Y and two equivalent Os atoms.