Materials Data on MoO5 by Materials Project

Abstract

MoO5 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of two water molecules and one MoO4 sheet oriented in the (0, 1, 0) direction. In the MoO4 sheet, Mo is bonded to six O atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mo–O bond distances ranging from 1.76–2.22 Å. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the second O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the third O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom.