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Title: Materials Data on HgH8C2Br3N by Materials Project

Abstract

HgBr3CH3CH3NH2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two methane molecules; two methylammonium molecules; and one HgBr3 ribbon oriented in the (0, 1, 0) direction. In the HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.54–3.28 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-569827
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HgH8C2Br3N; Br-C-H-Hg-N
OSTI Identifier:
1272976
DOI:
https://doi.org/10.17188/1272976

Citation Formats

The Materials Project. Materials Data on HgH8C2Br3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272976.
The Materials Project. Materials Data on HgH8C2Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1272976
The Materials Project. 2020. "Materials Data on HgH8C2Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1272976. https://www.osti.gov/servlets/purl/1272976. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1272976,
title = {Materials Data on HgH8C2Br3N by Materials Project},
author = {The Materials Project},
abstractNote = {HgBr3CH3CH3NH2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two methane molecules; two methylammonium molecules; and one HgBr3 ribbon oriented in the (0, 1, 0) direction. In the HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.54–3.28 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.},
doi = {10.17188/1272976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}