Materials Data on Nd(N5O9)3 by Materials Project

Abstract

Nd(NO3)6(N2)3(NO3)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four ammonia molecules, twelve nitric acid molecules, and four Nd(NO3)6 clusters. In each Nd(NO3)6 cluster, Nd3+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are a spread of Nd–O bond distances ranging from 2.62–2.68 Å. There are three inequivalent N+3.40+ sites. In the first N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.28 Å. In the second N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.28 Å. In the third N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.27 Å) N–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.40+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+3.40+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+3.40+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom.