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Title: Materials Data on Ag2HgI4 by Materials Project

Abstract

Ag2HgI4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.87 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.88 Å. Hg2+ is bonded to four equivalent I1- atoms to form HgI4 tetrahedra that share corners with eight AgI4 tetrahedra. All Hg–I bond lengths are 2.88 Å. I1- is bonded in a trigonal non-coplanar geometry to two Ag1+ and one Hg2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-23485
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; Ag2HgI4; Ag-Hg-I
OSTI Identifier:
1199539
DOI:
https://doi.org/10.17188/1199539

Citation Formats

The Materials Project. Materials Data on Ag2HgI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199539.
The Materials Project. Materials Data on Ag2HgI4 by Materials Project. United States. doi:https://doi.org/10.17188/1199539
The Materials Project. 2020. "Materials Data on Ag2HgI4 by Materials Project". United States. doi:https://doi.org/10.17188/1199539. https://www.osti.gov/servlets/purl/1199539. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199539,
title = {Materials Data on Ag2HgI4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2HgI4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.87 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. All Ag–I bond lengths are 2.88 Å. Hg2+ is bonded to four equivalent I1- atoms to form HgI4 tetrahedra that share corners with eight AgI4 tetrahedra. All Hg–I bond lengths are 2.88 Å. I1- is bonded in a trigonal non-coplanar geometry to two Ag1+ and one Hg2+ atom.},
doi = {10.17188/1199539},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}