Materials Data on U2Al6Pd3Pt by Materials Project

Abstract

U2PtPd3Al6 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a distorted hexagonal planar geometry to one Pt and five Pd atoms. The U–Pt bond length is 3.09 Å. There are two shorter (3.09 Å) and three longer (3.10 Å) U–Pd bond lengths. In the second U site, U is bonded in a distorted hexagonal planar geometry to two equivalent Pt and four Pd atoms. Both U–Pt bond lengths are 3.10 Å. There are one shorter (3.10 Å) and three longer (3.11 Å) U–Pd bond lengths. Pt is bonded in a 12-coordinate geometry to three U and six Al atoms. All Pt–Al bond lengths are 2.62 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three U and six Al atoms. All Pd–Al bond lengths are 2.62 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three U and six Al atoms. There are two shorter (2.61 Å) and four longer (2.63 Å) Pd–Al bond lengths. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three U and six Al atoms. There are four shorter (2.62 Å) and two longer (2.63 Å) Pd–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Pt and two equivalent Pd atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to four Pd atoms. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Pt and two equivalent Pd atoms. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Pd atoms.