skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ZnAu4 by Materials Project

Abstract

Au4Zn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Au+0.50- and three equivalent Zn2+ atoms. All Au–Au bond lengths are 2.98 Å. All Au–Zn bond lengths are 2.72 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of face, edge, and corner-sharing AuAu12 cuboctahedra. There are three shorter (2.95 Å) and six longer (2.98 Å) Au–Au bond lengths. Zn2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms.

Publication Date:
Other Number(s):
mp-1215575
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; ZnAu4; Au-Zn
OSTI Identifier:
1677911
DOI:
https://doi.org/10.17188/1677911

Citation Formats

The Materials Project. Materials Data on ZnAu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677911.
The Materials Project. Materials Data on ZnAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1677911
The Materials Project. 2020. "Materials Data on ZnAu4 by Materials Project". United States. doi:https://doi.org/10.17188/1677911. https://www.osti.gov/servlets/purl/1677911. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677911,
title = {Materials Data on ZnAu4 by Materials Project},
author = {The Materials Project},
abstractNote = {Au4Zn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Au+0.50- and three equivalent Zn2+ atoms. All Au–Au bond lengths are 2.98 Å. All Au–Zn bond lengths are 2.72 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of face, edge, and corner-sharing AuAu12 cuboctahedra. There are three shorter (2.95 Å) and six longer (2.98 Å) Au–Au bond lengths. Zn2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms.},
doi = {10.17188/1677911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}