Materials Data on U2Al19Co6 by Materials Project

Abstract

U2Co6Al19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.29 Å) and one longer (3.41 Å) U–Co bond lengths. There are a spread of U–Al bond distances ranging from 3.04–3.25 Å. In the second U site, U is bonded in a 10-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.26 Å) and one longer (3.43 Å) U–Co bond lengths. There are a spread of U–Al bond distances ranging from 3.02–3.39 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to two U and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.42–2.49 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 2.32–2.62 Å. In the third 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 2.33–2.68 Å. In the fourth Co site, Co is bonded in a 8-coordinate geometry to two U and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.43–2.52 Å. There are eleven inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. The Al–Al bond length is 2.85 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to two U, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.85 Å. In the third Al site, Al is bonded in a 4-coordinate geometry to one U, four Co, and two Al atoms. The Al–Al bond length is 2.64 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two U, three Co, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.95 Å. In the fifth Al site, Al is bonded in a distorted linear geometry to two U, two Co, and four Al atoms. In the sixth Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. In the seventh Al site, Al is bonded in a distorted bent 150 degrees geometry to one U and two equivalent Co atoms. In the eighth Al site, Al is bonded in a distorted bent 150 degrees geometry to one U and two equivalent Co atoms. In the ninth Al site, Al is bonded in a 2-coordinate geometry to two U, two Co, and two equivalent Al atoms. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two U, two Co, and one Al atom. In the eleventh Al site, Al is bonded in a 4-coordinate geometry to one U, four Co, and two Al atoms.