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Title: Materials Data on Hg5N3O11 by Materials Project

Abstract

Hg4NO5HgNO3NO3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, two nitrooxymercury molecules, and two Hg4NO5 clusters. In each Hg4NO5 cluster, there are four inequivalent Hg+1.80+ sites. In the first Hg+1.80+ site, Hg+1.80+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.12 Å. In the second Hg+1.80+ site, Hg+1.80+ is bonded in a distorted single-bond geometry to one O2- atom. The Hg–O bond length is 2.12 Å. In the third Hg+1.80+ site, Hg+1.80+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.47 Å) Hg–O bond lengths. In the fourth Hg+1.80+ site, Hg+1.80+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.16–2.88 Å. N+4.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg+1.80+ atoms. In the second O2- site, O2- is bonded in a distortedmore » trigonal non-coplanar geometry to three Hg+1.80+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Hg+1.80+ and one N+4.33+ atom.« less

Publication Date:
Other Number(s):
mp-1199362
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Hg5N3O11; Hg-N-O
OSTI Identifier:
1655890
DOI:
https://doi.org/10.17188/1655890

Citation Formats

The Materials Project. Materials Data on Hg5N3O11 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655890.
The Materials Project. Materials Data on Hg5N3O11 by Materials Project. United States. doi:https://doi.org/10.17188/1655890
The Materials Project. 2019. "Materials Data on Hg5N3O11 by Materials Project". United States. doi:https://doi.org/10.17188/1655890. https://www.osti.gov/servlets/purl/1655890. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655890,
title = {Materials Data on Hg5N3O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg4NO5HgNO3NO3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, two nitrooxymercury molecules, and two Hg4NO5 clusters. In each Hg4NO5 cluster, there are four inequivalent Hg+1.80+ sites. In the first Hg+1.80+ site, Hg+1.80+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.12 Å. In the second Hg+1.80+ site, Hg+1.80+ is bonded in a distorted single-bond geometry to one O2- atom. The Hg–O bond length is 2.12 Å. In the third Hg+1.80+ site, Hg+1.80+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.47 Å) Hg–O bond lengths. In the fourth Hg+1.80+ site, Hg+1.80+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.16–2.88 Å. N+4.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg+1.80+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg+1.80+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Hg+1.80+ and one N+4.33+ atom.},
doi = {10.17188/1655890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}