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Title: Materials Data on HgBr2 by Materials Project

Abstract

HgBr2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgBr2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six Br1- atoms to form distorted edge-sharing HgBr6 octahedra. There are a spread of Hg–Br bond distances ranging from 2.48–3.42 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-23292
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; HgBr2; Br-Hg
OSTI Identifier:
1199399
DOI:
https://doi.org/10.17188/1199399

Citation Formats

The Materials Project. Materials Data on HgBr2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199399.
The Materials Project. Materials Data on HgBr2 by Materials Project. United States. doi:https://doi.org/10.17188/1199399
The Materials Project. 2020. "Materials Data on HgBr2 by Materials Project". United States. doi:https://doi.org/10.17188/1199399. https://www.osti.gov/servlets/purl/1199399. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199399,
title = {Materials Data on HgBr2 by Materials Project},
author = {The Materials Project},
abstractNote = {HgBr2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgBr2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six Br1- atoms to form distorted edge-sharing HgBr6 octahedra. There are a spread of Hg–Br bond distances ranging from 2.48–3.42 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms.},
doi = {10.17188/1199399},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}