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Title: Materials Data on ZnAu3 by Materials Project

Abstract

Au3Zn crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Au sites. In the first Au site, Au is bonded in a distorted bent 120 degrees geometry to two equivalent Zn atoms. Both Au–Zn bond lengths are 2.72 Å. In the second Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. There are two shorter (2.87 Å) and two longer (2.91 Å) Au–Zn bond lengths. In the third Au site, Au is bonded in a 12-coordinate geometry to four equivalent Zn atoms. There are two shorter (2.78 Å) and two longer (2.79 Å) Au–Zn bond lengths. Zn is bonded in a distorted q6 geometry to ten Au atoms.

Authors:
Publication Date:
Other Number(s):
mp-1755
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; ZnAu3; Au-Zn
OSTI Identifier:
1192564
DOI:
https://doi.org/10.17188/1192564

Citation Formats

The Materials Project. Materials Data on ZnAu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192564.
The Materials Project. Materials Data on ZnAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1192564
The Materials Project. 2020. "Materials Data on ZnAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1192564. https://www.osti.gov/servlets/purl/1192564. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192564,
title = {Materials Data on ZnAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Au3Zn crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Au sites. In the first Au site, Au is bonded in a distorted bent 120 degrees geometry to two equivalent Zn atoms. Both Au–Zn bond lengths are 2.72 Å. In the second Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. There are two shorter (2.87 Å) and two longer (2.91 Å) Au–Zn bond lengths. In the third Au site, Au is bonded in a 12-coordinate geometry to four equivalent Zn atoms. There are two shorter (2.78 Å) and two longer (2.79 Å) Au–Zn bond lengths. Zn is bonded in a distorted q6 geometry to ten Au atoms.},
doi = {10.17188/1192564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}