Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Materials Data on HgAu4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1651839· OSTI ID:1651839
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.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1651839
Report Number(s):
mp-1223945
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on CoAu4 by Materials Project
Dataset · Tue May 05 00:00:00 EDT 2020 · OSTI ID:1740251
Materials Data on HgAu3 by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1711705
Materials Data on Cd3Au8 by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1743989

Related Subjects

36 MATERIALS SCIENCE
Au-Hg
HgAu4
crystal structure