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Title: Materials Data on HgAu4 by Materials Project

Abstract

Au4Hg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded to nine Au+0.50- and three equivalent Hg2+ atoms to form a mixture of distorted edge, corner, and face-sharing AuHg3Au9 cuboctahedra. There are three shorter (2.90 Å) and six longer (3.06 Å) Au–Au bond lengths. All Au–Hg bond lengths are 3.03 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are three shorter (2.89 Å) and six longer (3.06 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are three shorter (2.90 Å) and six longer (3.06 Å) Au–Au bond lengths. In the fourth Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.89–3.06 Å. In the fifth Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. Theremore » are a spread of Au–Au bond distances ranging from 2.89–3.06 Å. Hg2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms.« less

Publication Date:
Other Number(s):
mp-1223945
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; HgAu4; Au-Hg
OSTI Identifier:
1651839
DOI:
https://doi.org/10.17188/1651839

Citation Formats

The Materials Project. Materials Data on HgAu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651839.
The Materials Project. Materials Data on HgAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1651839
The Materials Project. 2020. "Materials Data on HgAu4 by Materials Project". United States. doi:https://doi.org/10.17188/1651839. https://www.osti.gov/servlets/purl/1651839. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651839,
title = {Materials Data on HgAu4 by Materials Project},
author = {The Materials Project},
abstractNote = {Au4Hg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded to nine Au+0.50- and three equivalent Hg2+ atoms to form a mixture of distorted edge, corner, and face-sharing AuHg3Au9 cuboctahedra. There are three shorter (2.90 Å) and six longer (3.06 Å) Au–Au bond lengths. All Au–Hg bond lengths are 3.03 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are three shorter (2.89 Å) and six longer (3.06 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are three shorter (2.90 Å) and six longer (3.06 Å) Au–Au bond lengths. In the fourth Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.89–3.06 Å. In the fifth Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.89–3.06 Å. Hg2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms.},
doi = {10.17188/1651839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}