Materials Data on Mo by Materials Project

Abstract

Mo is beta Plutonium-like structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are eight inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to eleven Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.63–3.17 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to eleven Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.61–3.13 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 2.68–3.11 Å. In the fourth 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 2.71–3.13 Å. In the fifth Mo site, Mo is bonded in a 12-coordinate geometry to eleven Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.66–3.07 Å. In the sixth Mo site, Mo is bonded in a 10-coordinate geometry to thirteen Mo atoms. There are a spread of Mo–Mo bond distances ranging from 2.57–3.46 Å. In the seventh Mo site, Mo is bonded in a 10-coordinate geometry to thirteen Mo atoms. There are one shorter (2.65 Å) and two longer (3.34 Å) Mo–Mo bond lengths. In the eighth Mo site, Mo is bonded in a 12-coordinate geometry to eleven Mo atoms.