Materials Data on U(BiO3)2 by Materials Project

Abstract

Bi2UO6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U6+ is bonded to eight O2- atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are two shorter (2.05 Å) and six longer (2.29 Å) U–O bond lengths. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.60 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and three equivalent Bi3+ atoms.