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Materials Data on UAlPt by Materials Project

UPtAl 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 Pt atoms. There are four shorter (2.95 Å) and one longer (2.96 Å) U–Pt bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of U–Pt bond distances ranging from 2.94–2.97 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six U and three Al atoms. All Pt–Al bond lengths are 2.72 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three U and six Al atoms. There are four shorter (2.66 Å) and two longer (2.67 Å) Pt–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing AlPt4 tetrahedra. In the second Al site, Al is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing AlPt4 tetrahedra.

36 MATERIALS SCIENCE↗