U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnAu3 by Materials Project
Abstract
Au3Zn crystallizes in the tetragonal I4_1/acd 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 2.74 Å. In the second Au site, Au is bonded in a 12-coordinate geometry to four equivalent Zn atoms. There are two shorter (2.79 Å) and two longer (2.80 Å) Au–Zn bond lengths. In the third Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. All Au–Zn bond lengths are 2.87 Å. Zn is bonded in a distorted q6 geometry to ten Au atoms.
- Publication Date:
- Other Number(s):
- mp-669566
- 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; ZnAu3; crystal structure
- OSTI Identifier:
- 1281711
- DOI:
- https://doi.org/10.17188/1281711
Citation Formats
Materials Data on ZnAu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281711.
Materials Data on ZnAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1281711
2020.
"Materials Data on ZnAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1281711. https://www.osti.gov/servlets/purl/1281711. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1281711,
title = {Materials Data on ZnAu3 by Materials Project},
abstractNote = {Au3Zn crystallizes in the tetragonal I4_1/acd 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 2.74 Å. In the second Au site, Au is bonded in a 12-coordinate geometry to four equivalent Zn atoms. There are two shorter (2.79 Å) and two longer (2.80 Å) Au–Zn bond lengths. In the third Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. All Au–Zn bond lengths are 2.87 Å. Zn is bonded in a distorted q6 geometry to ten Au atoms.},
doi = {10.17188/1281711},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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