Materials Data on Mo3P by Materials Project

Abstract

Mo3P crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 3-coordinate geometry to twelve Mo and two equivalent P atoms. There are a spread of Mo–Mo bond distances ranging from 2.58–3.16 Å. Both Mo–P bond lengths are 2.52 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to two equivalent Mo and four equivalent P atoms. All Mo–P bond lengths are 2.50 Å. In the third Mo site, Mo is bonded in a 2-coordinate geometry to five equivalent Mo and two equivalent P atoms. Both Mo–P bond lengths are 2.45 Å. P is bonded in a 8-coordinate geometry to eight Mo atoms.