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Title: Materials Data on HgH16C6(N2Cl)2 by Materials Project

Abstract

HgC2(NCl)2(CH3)2(CH3NH2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight methane molecules, eight methylammonium molecules, and four HgC2(NCl)2 clusters. In each HgC2(NCl)2 cluster, Hg2+ is bonded in a 4-coordinate geometry to two equivalent C+0.67- and two equivalent Cl1- atoms. Both Hg–C bond lengths are 2.06 Å. Both Hg–Cl bond lengths are 2.95 Å. C+0.67- is bonded in a distorted linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a single-bond geometry to one C+0.67- atom. Cl1- is bonded in a 2-coordinate geometry to one Hg2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-736272
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; HgH16C6(N2Cl)2; C-Cl-H-Hg-N
OSTI Identifier:
1287856
DOI:
10.17188/1287856

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HgH16C6(N2Cl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287856.
Persson, Kristin, & Project, Materials. Materials Data on HgH16C6(N2Cl)2 by Materials Project. United States. doi:10.17188/1287856.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HgH16C6(N2Cl)2 by Materials Project". United States. doi:10.17188/1287856. https://www.osti.gov/servlets/purl/1287856. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287856,
title = {Materials Data on HgH16C6(N2Cl)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HgC2(NCl)2(CH3)2(CH3NH2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight methane molecules, eight methylammonium molecules, and four HgC2(NCl)2 clusters. In each HgC2(NCl)2 cluster, Hg2+ is bonded in a 4-coordinate geometry to two equivalent C+0.67- and two equivalent Cl1- atoms. Both Hg–C bond lengths are 2.06 Å. Both Hg–Cl bond lengths are 2.95 Å. C+0.67- is bonded in a distorted linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a single-bond geometry to one C+0.67- atom. Cl1- is bonded in a 2-coordinate geometry to one Hg2+ atom.},
doi = {10.17188/1287856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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