Materials Data on NaUO4 by Materials Project

Abstract

NaUO4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight O atoms. There are six shorter (2.56 Å) and two longer (2.93 Å) Na–O bond lengths. U is bonded to eight O atoms to form edge-sharing UO8 hexagonal bipyramids. There are two shorter (1.88 Å) and six longer (2.31 Å) U–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to one Na and three equivalent U atoms to form distorted ONaU3 trigonal pyramids that share corners with six equivalent ONa3U tetrahedra, corners with ten equivalent ONaU3 trigonal pyramids, edges with three equivalent ONa3U tetrahedra, and edges with three equivalent ONaU3 trigonal pyramids. In the second O site, O is bonded to three equivalent Na and one U atom to form distorted ONa3U tetrahedra that share corners with ten equivalent ONa3U tetrahedra, corners with six equivalent ONaU3 trigonal pyramids, edges with three equivalent ONa3U tetrahedra, and edges with three equivalent ONaU3 trigonal pyramids.