Materials Data on BiH5(NO3)3 by Materials Project

Abstract

BiH(NO3)3(H2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight hydrogen molecules and two BiH(NO3)3 clusters. In each BiH(NO3)3 cluster, Bi2+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Bi–H bond length is 1.89 Å. There are a spread of Bi–O bond distances ranging from 2.37–2.54 Å. There are three inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N+3.67+ site, N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the third N+3.67+ site, N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. H1+ is bonded in a single-bond geometry to one Bi2+ atom. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Bi2+ and one N+3.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Bi2+ and one N+3.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi2+ and one N+3.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Bi2+ and one N+3.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Bi2+ and one N+3.67+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom.