U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2PtAu by Materials Project
Abstract
Ba2PtAu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Au atoms. There are two shorter (3.42 Å) and one longer (3.46 Å) Ba–Pt bond lengths. All Ba–Au bond lengths are 3.39 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Au atoms. All Ba–Pt bond lengths are 3.39 Å. There are two shorter (3.41 Å) and one longer (3.48 Å) Ba–Au bond lengths. Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.04 Å. Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms.
- Publication Date:
- Other Number(s):
- mp-1228329
- 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-Ba-Pt; Ba2PtAu; crystal structure
- OSTI Identifier:
- 1718353
- DOI:
- https://doi.org/10.17188/1718353
Citation Formats
Materials Data on Ba2PtAu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718353.
Materials Data on Ba2PtAu by Materials Project. United States. doi:https://doi.org/10.17188/1718353
2020.
"Materials Data on Ba2PtAu by Materials Project". United States. doi:https://doi.org/10.17188/1718353. https://www.osti.gov/servlets/purl/1718353. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1718353,
title = {Materials Data on Ba2PtAu by Materials Project},
abstractNote = {Ba2PtAu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Au atoms. There are two shorter (3.42 Å) and one longer (3.46 Å) Ba–Pt bond lengths. All Ba–Au bond lengths are 3.39 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Au atoms. All Ba–Pt bond lengths are 3.39 Å. There are two shorter (3.41 Å) and one longer (3.48 Å) Ba–Au bond lengths. Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.04 Å. Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms.},
doi = {10.17188/1718353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}