Materials Data on Mo3O10 by Materials Project

Abstract

Mo3O10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.80–2.27 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.35 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two Mo atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the third O site, O is bonded in a distorted linear geometry to two equivalent Mo atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the fifth O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom.