Materials Data on UAlNi by Materials Project

Abstract

UNiAl 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 Ni atoms. There are one shorter (2.78 Å) and four longer (2.85 Å) U–Ni bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of U–Ni bond distances ranging from 2.83–2.87 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three U and six Al atoms. All Ni–Al bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six U and three Al atoms. There are a spread of Ni–Al bond distances ranging from 2.57–2.64 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to four Ni atoms.