Materials Data on Mo by Materials Project

Abstract

Mo crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted body-centered cubic geometry to nine Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.63–3.12 Å. In the second Mo site, Mo is bonded in a 12-coordinate geometry to twelve Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.68–3.06 Å. In the third Mo site, Mo is bonded in a 12-coordinate geometry to twelve Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.49–3.24 Å. In the fourth Mo site, Mo is bonded in a 11-coordinate geometry to eleven Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.72–3.06 Å.