Materials Data on Pt3W by Materials Project

Abstract

Pt3W is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. W6+ is bonded to twelve Pt2- atoms to form WPt12 cuboctahedra that share corners with four equivalent WPt12 cuboctahedra, corners with eight equivalent PtPt8W4 cuboctahedra, edges with eight equivalent WPt12 cuboctahedra, edges with sixteen equivalent PtPt8W4 cuboctahedra, faces with four equivalent WPt12 cuboctahedra, and faces with fourteen PtPt8W4 cuboctahedra. There are four shorter (2.78 Å) and eight longer (2.82 Å) W–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent W6+ and eight Pt2- atoms to form PtPt8W4 cuboctahedra that share corners with twelve equivalent PtPt8W4 cuboctahedra, edges with eight equivalent WPt12 cuboctahedra, edges with sixteen PtPt8W4 cuboctahedra, faces with four equivalent WPt12 cuboctahedra, and faces with fourteen PtPt8W4 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.82 Å) Pt–Pt bond lengths. In the second Pt2- site, Pt2- is bonded to four equivalent W6+ and eight equivalent Pt2- atoms to form PtPt8W4 cuboctahedra that share corners with four equivalent PtPt8W4 cuboctahedra, corners with eight equivalent WPt12 cuboctahedra, edges with twenty-four PtPt8W4 cuboctahedra, faces with six equivalent WPt12 cuboctahedra, and faces with twelve PtPt8W4 cuboctahedra.