Materials Data on Mo3O10 by Materials Project

Abstract

Mo3O10 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of one O2 ribbon oriented in the (0, 0, 1) direction and one MoO3 framework. In the O2 ribbon, O is bonded in a linear geometry to two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the MoO3 framework, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.50 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo atoms.