Materials Data on UAlCo by Materials Project

Abstract

UCoAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Co and six Al atoms. There are one shorter (2.76 Å) and four longer (2.82 Å) U–Co bond lengths. There are two shorter (3.01 Å) and four longer (3.14 Å) U–Al bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Co and six Al atoms. There are a spread of U–Co bond distances ranging from 2.78–2.82 Å. There are two shorter (3.01 Å) and four longer (3.14 Å) U–Al bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six U and three Al atoms. There are two shorter (2.56 Å) and one longer (2.57 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a 9-coordinate geometry to three U and six Al atoms. There are four shorter (2.54 Å) and two longer (2.55 Å) Co–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to six U, four Co, and two equivalent Al atoms. Both Al–Al bond lengths are 2.68 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to six U, four Co, and two Al atoms. The Al–Al bond length is 2.69 Å.