Materials Data on ZnH8(NO2)6 by Materials Project

Abstract

Zn(NO3)4(NH4)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Zn(NO3)4 clusters. In two of the Zn(NO3)4 clusters, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.06–2.36 Å. There are four inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. In the second N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the third N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. In the fourth N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.33 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to one Zn2+ and one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one N+2.33+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one N+2.33+ atom. In two of the Zn(NO3)4 clusters, Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.02–2.78 Å. There are four inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.31 Å. In the second N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.30 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ 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. In the fourth N+2.33+ site, N+2.33+ 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. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Zn2+ and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Zn2+ and one N+2.33+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to one Zn2+ and one N+2.33+ atom. In the ninth O2- site, O2- is bonded in a water-like geometry to one Zn2+ and one N+2.33+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Zn2+ and one N+2.33+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom.