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Title: Materials Data on Hg3(N5Cl8)2 by Materials Project

Abstract

(Hg)2HgCl2(NCl)2(N2Cl3)4 crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of four chloramine molecules, two mercuric chloride molecules, four mercury molecules, and eight N2Cl3 clusters. In each N2Cl3 cluster, N1+ is bonded in a bent 120 degrees geometry to two Cl1- atoms. There is one shorter (1.63 Å) and one longer (2.03 Å) N–Cl bond length. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N1+ atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent N1+ atoms.

Publication Date:
Other Number(s):
mp-1212528
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; Hg3(N5Cl8)2; Cl-Hg-N
OSTI Identifier:
1722331
DOI:
https://doi.org/10.17188/1722331

Citation Formats

The Materials Project. Materials Data on Hg3(N5Cl8)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722331.
The Materials Project. Materials Data on Hg3(N5Cl8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722331
The Materials Project. 2019. "Materials Data on Hg3(N5Cl8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722331. https://www.osti.gov/servlets/purl/1722331. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1722331,
title = {Materials Data on Hg3(N5Cl8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(Hg)2HgCl2(NCl)2(N2Cl3)4 crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of four chloramine molecules, two mercuric chloride molecules, four mercury molecules, and eight N2Cl3 clusters. In each N2Cl3 cluster, N1+ is bonded in a bent 120 degrees geometry to two Cl1- atoms. There is one shorter (1.63 Å) and one longer (2.03 Å) N–Cl bond length. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N1+ atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent N1+ atoms.},
doi = {10.17188/1722331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}