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Title: Materials Data on Hg4I7 by Materials Project

Abstract

Hg4I7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hg+1.75+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.87–3.14 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a tetrahedral geometry to four equivalent Hg+1.75+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg+1.75+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg+1.75+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-568838
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; Hg4I7; Hg-I
OSTI Identifier:
1274722
DOI:
10.17188/1274722

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Hg4I7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274722.
Persson, Kristin, & Project, Materials. Materials Data on Hg4I7 by Materials Project. United States. doi:10.17188/1274722.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Hg4I7 by Materials Project". United States. doi:10.17188/1274722. https://www.osti.gov/servlets/purl/1274722. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1274722,
title = {Materials Data on Hg4I7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Hg4I7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hg+1.75+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.87–3.14 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a tetrahedral geometry to four equivalent Hg+1.75+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg+1.75+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg+1.75+ atoms.},
doi = {10.17188/1274722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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