Materials Data on Y2(Al3Co)3 by Materials Project

Abstract

Y2Co3Al9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Y–Al bond distances ranging from 2.96–3.08 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are four shorter (2.51 Å) and four longer (2.57 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.48–2.57 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Co, and six Al atoms. There are four shorter (2.74 Å) and two longer (2.76 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y, three Co, and four Al atoms. There are two shorter (2.69 Å) and two longer (2.89 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Co, and six Al atoms. There are one shorter (2.73 Å) and two longer (2.78 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y, three Co, and five Al atoms. There are one shorter (2.76 Å) and one longer (2.82 Å) Al–Al bond lengths.