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 (2.83 Å) and four longer (2.84 Å) U–Ni bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ni atoms. There are one shorter (2.82 Å) and four longer (2.84 Å) U–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six U and three Al atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three U and six Al atoms. There are four shorter (2.57 Å) and two longer (2.58 Å) Ni–Al bond lengths. 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.