Title: Materials Data on Zn3Au by Materials Project

Abstract

AuZn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded to twelve equivalent Zn atoms to form a mixture of distorted face and edge-sharing AuZn12 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.87 Å) Au–Zn bond lengths. In the second Au site, Au is bonded to twelve equivalent Zn atoms to form face-sharing AuZn12 cuboctahedra. All Au–Zn bond lengths are 2.73 Å. Zn is bonded in a 4-coordinate geometry to four Au atoms.

Publication Date:
Other Number(s):
mp-30424
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Au-Zn; crystal structure; Zn3Au
OSTI Identifier:
1204833
DOI:
https://doi.org/10.17188/1204833

Citation Formats

Materials Data on Zn3Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204833.
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Materials Data on Zn3Au by Materials Project. United States. doi:https://doi.org/10.17188/1204833
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2020. "Materials Data on Zn3Au by Materials Project". United States. doi:https://doi.org/10.17188/1204833. https://www.osti.gov/servlets/purl/1204833. Pub date:Wed Jul 22 20:00:00 EDT 2020
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@article{osti_1204833,
title = {Materials Data on Zn3Au by Materials Project},
abstractNote = {AuZn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded to twelve equivalent Zn atoms to form a mixture of distorted face and edge-sharing AuZn12 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.87 Å) Au–Zn bond lengths. In the second Au site, Au is bonded to twelve equivalent Zn atoms to form face-sharing AuZn12 cuboctahedra. All Au–Zn bond lengths are 2.73 Å. Zn is bonded in a 4-coordinate geometry to four Au atoms.},
doi = {10.17188/1204833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1204833
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