Materials Data on U2V2O11 by Materials Project

Abstract

(UO2)2(V2O7) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.61 Å. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.71–1.80 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one V5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one V5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.