Materials Data on Al21Pt8 by Materials Project

Abstract

Al21Pt8 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–2.76 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pt–Al bond distances ranging from 2.55–3.12 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pt atoms to form distorted corner-sharing AlPt4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three Pt atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to four Pt atoms. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Pt atoms. In the fifth Al site, Al is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing AlPt4 tetrahedra. In the sixth Al site, Al is bonded in a 4-coordinate geometry to four Pt atoms.