Materials Data on Pu(N4O9)2 by Materials Project

Abstract

Pu(NO3)6N2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and two Pu(NO3)6 clusters. In each Pu(NO3)6 cluster, Pu4+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are a spread of Pu–O bond distances ranging from 2.44–2.48 Å. There are three inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.29 Å. In the third N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.21–1.30 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one N4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one N4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one N4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one N4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one N4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one N4+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N4+ atom.