Materials Data on Yb(Al4Co)2 by Materials Project

Abstract

Yb(CoAl4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Yb–Al bond distances ranging from 3.10–3.34 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.56 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.57 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 3.00 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–3.00 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.88 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.81 Å. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and three Al atoms. The Al–Al bond length is 2.68 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Co, and six Al atoms. There are one shorter (2.66 Å) and two longer (2.84 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a distorted linear geometry to two equivalent Yb, two equivalent Co, and eight Al atoms. In the eighth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al atoms. In the ninth Al site, Al is bonded in a distorted linear geometry to two equivalent Yb, two Co, and six Al atoms.