Materials Data on UH6Br2O5 by Materials Project

Abstract

UO2Br2(H2O)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve water molecules and four UO2Br2 clusters. In each UO2Br2 cluster, U6+ is bonded in a 2-coordinate geometry to two O2- and two Br1- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) U–O bond length. There are one shorter (2.83 Å) and one longer (2.95 Å) U–Br bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one U6+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to one U6+ atom.