Materials Data on UBrO5 by Materials Project

Abstract

UO5Br crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one UO5Br sheet oriented in the (1, 0, 0) direction. U5+ is bonded to six O2- atoms to form distorted edge-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one U5+ and one Br5+ atom. The O–Br bond length is 1.73 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one U5+ and one Br5+ atom. The O–Br bond length is 1.73 Å. Br5+ is bonded in a bent 120 degrees geometry to two O2- atoms.