DOE OSTI2020
AlPt2 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to five Al atoms. There are a spread of Pt–Al bond distances ranging from 2.60–2.89 Å. In the second Pt site, Pt is bonded in a distorted square co-planar geometry to four Al atoms. There are two shorter (2.71 Å) and two longer (2.74 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–2.87 Å. In the fourth Pt site, Pt is bonded in a 12-coordinate geometry to six Al atoms. There are four shorter (2.70 Å) and two longer (2.76 Å) Pt–Al bond lengths. In the fifth Pt site, Pt is bonded in a 12-coordinate geometry to six Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.99 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve Pt atoms to form a mixture of corner and face-sharing AlPt12 cuboctahedra. In the second Al site, Al is bonded in a 10-coordinate geometry to ten Pt atoms. In the third Al site, Al is bonded in a distorted body-centered cubic geometry to eight Pt atoms.