Materials Data on NaUN3O11 by Materials Project

Abstract

NaUN3O11 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six O2- atoms. There are three shorter (2.41 Å) and three longer (2.46 Å) Na–O bond lengths. U6+ is bonded in a distorted linear geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.49 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.21 Å) and two longer (1.30 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one U6+, and one N5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one U6+, and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.