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Title: Materials Data on ZrCuHg2 by Materials Project

Abstract

ZrCuHg2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to four equivalent Cu and ten Hg atoms. All Zr–Cu bond lengths are 2.93 Å. There are four shorter (2.93 Å) and six longer (3.38 Å) Zr–Hg bond lengths. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Hg atoms. All Cu–Hg bond lengths are 2.93 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Zr and four equivalent Hg atoms to form distorted edge-sharing HgZr4Hg4 tetrahedra. All Hg–Hg bond lengths are 2.93 Å. In the second Hg site, Hg is bonded in a 4-coordinate geometry to six equivalent Zr, four equivalent Cu, and four equivalent Hg atoms.

Authors:
Publication Date:
Other Number(s):
mp-30583
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; ZrCuHg2; Cu-Hg-Zr
OSTI Identifier:
1204971
DOI:
https://doi.org/10.17188/1204971

Citation Formats

The Materials Project. Materials Data on ZrCuHg2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204971.
The Materials Project. Materials Data on ZrCuHg2 by Materials Project. United States. doi:https://doi.org/10.17188/1204971
The Materials Project. 2020. "Materials Data on ZrCuHg2 by Materials Project". United States. doi:https://doi.org/10.17188/1204971. https://www.osti.gov/servlets/purl/1204971. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204971,
title = {Materials Data on ZrCuHg2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrCuHg2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to four equivalent Cu and ten Hg atoms. All Zr–Cu bond lengths are 2.93 Å. There are four shorter (2.93 Å) and six longer (3.38 Å) Zr–Hg bond lengths. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Hg atoms. All Cu–Hg bond lengths are 2.93 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Zr and four equivalent Hg atoms to form distorted edge-sharing HgZr4Hg4 tetrahedra. All Hg–Hg bond lengths are 2.93 Å. In the second Hg site, Hg is bonded in a 4-coordinate geometry to six equivalent Zr, four equivalent Cu, and four equivalent Hg atoms.},
doi = {10.17188/1204971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}