Materials Data on UBrO2 by Materials Project

Abstract

UO2Br crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two UO2Br sheets oriented in the (0, 1, 0) direction. U5+ is bonded to five O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing UBr2O5 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 2.07–2.31 Å. Both U–Br bond lengths are 2.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U5+ atoms. Br1- is bonded in a 2-coordinate geometry to two equivalent U5+ atoms.