Materials Data on Al5Mo by Materials Project

Abstract

Al5Mo crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mo is bonded to twelve Al atoms to form MoAl12 cuboctahedra that share corners with six equivalent MoAl12 cuboctahedra, corners with twelve equivalent AlAl9Mo3 cuboctahedra, edges with six equivalent MoAl12 cuboctahedra, and faces with eight equivalent AlAl9Mo3 cuboctahedra. There are six shorter (2.72 Å) and six longer (2.86 Å) Mo–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Mo and nine Al atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with six equivalent MoAl12 cuboctahedra, corners with twelve equivalent AlAl9Mo3 cuboctahedra, edges with six equivalent AlAl9Mo3 cuboctahedra, faces with four equivalent MoAl12 cuboctahedra, and faces with four equivalent AlAl9Mo3 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.73–2.87 Å. In the second Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Mo and four equivalent Al atoms.