Materials Data on UMo2O11 by Materials Project

Abstract

UMo2O11 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of six UMo2O11 sheets oriented in the (1, 0, 0) direction. U is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.79–2.50 Å. Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.32 Å. There are six 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 U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one Mo atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one U and two equivalent Mo atoms. In the fifth O site, O is bonded in a single-bond geometry to one Mo atom. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two equivalent Mo atoms.