Materials Data on Mo2O7 by Materials Project

Abstract

Mo2O7 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Mo2O7 sheet oriented in the (1, 0, 0) direction. 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 1.72–2.52 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 1.72–2.42 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mo atom. 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. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three equivalent Mo atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to two Mo atoms. In the seventh O site, O is bonded in a single-bond geometry to one Mo atom.