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Title: Materials Data on HgI2 by Materials Project

Abstract

HgI2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of two HgI2 frameworks. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. In the second Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. In the third Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. In the fourth Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. There are eight inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the fourth I1- site, I1-more » is bonded in a water-like geometry to two Hg2+ atoms. In the fifth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the sixth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the seventh I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the eighth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms.« less

Publication Date:
Other Number(s):
mp-583213
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; HgI2; Hg-I
OSTI Identifier:
1277043
DOI:
https://doi.org/10.17188/1277043

Citation Formats

The Materials Project. Materials Data on HgI2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277043.
The Materials Project. Materials Data on HgI2 by Materials Project. United States. doi:https://doi.org/10.17188/1277043
The Materials Project. 2020. "Materials Data on HgI2 by Materials Project". United States. doi:https://doi.org/10.17188/1277043. https://www.osti.gov/servlets/purl/1277043. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1277043,
title = {Materials Data on HgI2 by Materials Project},
author = {The Materials Project},
abstractNote = {HgI2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of two HgI2 frameworks. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. In the second Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. In the third Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. In the fourth Hg2+ site, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.88 Å. There are eight inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the fourth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the fifth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the sixth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the seventh I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the eighth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms.},
doi = {10.17188/1277043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}