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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1228329
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; Ba2PtAu; Au-Ba-Pt
OSTI Identifier:
1718353
DOI:
https://doi.org/10.17188/1718353

Citation Formats

The Materials Project. Materials Data on Ba2PtAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718353.
The Materials Project. Materials Data on Ba2PtAu by Materials Project. United States. doi:https://doi.org/10.17188/1718353
The Materials Project. 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},
author = {The 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}
}