Materials Data on Gd(NO5)3 by Materials Project

Abstract

GdN3O11(O2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two GdN3O11 clusters. In each GdN3O11 cluster, Gd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.74 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.21 Å) and two longer (1.31 Å) N–O bond length. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in an L-shaped geometry to one Gd and one N atom. In the fourth O site, O is bonded in an L-shaped geometry to one Gd and one N atom. In the fifth O site, O is bonded in an L-shaped geometry to one Gd and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a water-like geometry to one Gd and one N atom. In the eighth O site, O is bonded in an L-shaped geometry to one Gd and one N atom. In the ninth O site, O is bonded in a single-bond geometry to one N atom. In the tenth O site, O is bonded in an L-shaped geometry to one Gd and one N atom. In the eleventh O site, O is bonded in an L-shaped geometry to one Gd and one N atom.