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Title: Materials Data on Cu2HgI4 by Materials Project

Abstract

Cu2HgI4 crystallizes in the orthorhombic Cccm space group. The structure is two-dimensional and consists of two Cu2HgI4 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. Hg2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Hg–I bond lengths are 2.92 Å. I1- is bonded in a 3-coordinate geometry to two Cu1+ and one Hg2+ atom.

Publication Date:
Other Number(s):
mp-673698
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; Cu2HgI4; Cu-Hg-I
OSTI Identifier:
1282390
DOI:
10.17188/1282390

Citation Formats

The Materials Project. Materials Data on Cu2HgI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282390.
The Materials Project. Materials Data on Cu2HgI4 by Materials Project. United States. doi:10.17188/1282390.
The Materials Project. 2020. "Materials Data on Cu2HgI4 by Materials Project". United States. doi:10.17188/1282390. https://www.osti.gov/servlets/purl/1282390. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1282390,
title = {Materials Data on Cu2HgI4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2HgI4 crystallizes in the orthorhombic Cccm space group. The structure is two-dimensional and consists of two Cu2HgI4 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. Hg2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Hg–I bond lengths are 2.92 Å. I1- is bonded in a 3-coordinate geometry to two Cu1+ and one Hg2+ atom.},
doi = {10.17188/1282390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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