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Title: Materials Data on HgH10C3Br3N by Materials Project

Abstract

HgBr3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgBr3 ribbons oriented in the (1, 0, 0) direction. In each HgBr3 ribbon, Hg2+ is bonded to four Br1- atoms to form corner-sharing HgBr4 trigonal pyramids. There are a spread of Hg–Br bond distances ranging from 2.60–3.02 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 water-like geometry to two equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.

Publication Date:
Other Number(s):
mp-571511
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; HgH10C3Br3N; Br-C-H-Hg-N
OSTI Identifier:
1268342
DOI:
10.17188/1268342

Citation Formats

The Materials Project. Materials Data on HgH10C3Br3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268342.
The Materials Project. Materials Data on HgH10C3Br3N by Materials Project. United States. doi:10.17188/1268342.
The Materials Project. 2020. "Materials Data on HgH10C3Br3N by Materials Project". United States. doi:10.17188/1268342. https://www.osti.gov/servlets/purl/1268342. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268342,
title = {Materials Data on HgH10C3Br3N by Materials Project},
author = {The Materials Project},
abstractNote = {HgBr3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgBr3 ribbons oriented in the (1, 0, 0) direction. In each HgBr3 ribbon, Hg2+ is bonded to four Br1- atoms to form corner-sharing HgBr4 trigonal pyramids. There are a spread of Hg–Br bond distances ranging from 2.60–3.02 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 water-like geometry to two equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.},
doi = {10.17188/1268342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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