Materials Data on Al4Mo by Materials Project

Abstract

Al4Mo crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mo–Al bond distances ranging from 2.55–2.84 Å. In the second Mo site, Mo is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Mo–Al bond distances ranging from 2.55–2.85 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Mo atoms. In the second Al site, Al is bonded in a 1-coordinate geometry to four Mo atoms. In the third Al site, Al is bonded in a distorted linear geometry to two Mo and one Al atom. The Al–Al bond length is 2.88 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Mo and one Al atom. The Al–Al bond length is 3.01 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Mo and one Al atom. The Al–Al bond length is 2.80 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mo and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.87 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mo and three equivalent Al atoms.