Materials Data on Al3Pt by Materials Project

Al3Pt is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve Al atoms to form PtAl12 cuboctahedra that share corners with four equivalent PtAl12 cuboctahedra, corners with eight equivalent AlAl8Pt4 cuboctahedra, edges with eight equivalent PtAl12 cuboctahedra, edges with sixteen equivalent AlAl8Pt4 cuboctahedra, faces with four equivalent PtAl12 cuboctahedra, and faces with fourteen AlAl8Pt4 cuboctahedra. All Pt–Al bond lengths are 2.79 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pt and eight Al atoms to form distorted AlAl8Pt4 cuboctahedra that share corners with twelve equivalent AlAl8Pt4 cuboctahedra, edges with eight equivalent PtAl12 cuboctahedra, edges with sixteen AlAl8Pt4 cuboctahedra, faces with four equivalent PtAl12 cuboctahedra, and faces with fourteen AlAl8Pt4 cuboctahedra. All Al–Al bond lengths are 2.79 Å. In the second Al site, Al is bonded to four equivalent Pt and eight equivalent Al atoms to form distorted AlAl8Pt4 cuboctahedra that share corners with four equivalent AlAl8Pt4 cuboctahedra, corners with eight equivalent PtAl12 cuboctahedra, edges with twenty-four AlAl8Pt4 cuboctahedra, faces with six equivalent PtAl12 cuboctahedra, and faces with twelve AlAl8Pt4 cuboctahedra.