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Title: Materials Data on CaBiAu4 by Materials Project

Abstract

CaAu4Bi is beta-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. All Ca–Au bond lengths are 3.35 Å. Au1- is bonded to three equivalent Ca2+, six equivalent Au1-, and three equivalent Bi2+ atoms to form a mixture of face, edge, and corner-sharing AuCa3Bi3Au6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Au–Au bond lengths. All Au–Bi bond lengths are 3.35 Å. Bi2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213974
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; CaBiAu4; Au-Bi-Ca
OSTI Identifier:
1718410
DOI:
https://doi.org/10.17188/1718410

Citation Formats

The Materials Project. Materials Data on CaBiAu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718410.
The Materials Project. Materials Data on CaBiAu4 by Materials Project. United States. doi:https://doi.org/10.17188/1718410
The Materials Project. 2020. "Materials Data on CaBiAu4 by Materials Project". United States. doi:https://doi.org/10.17188/1718410. https://www.osti.gov/servlets/purl/1718410. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718410,
title = {Materials Data on CaBiAu4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaAu4Bi is beta-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. All Ca–Au bond lengths are 3.35 Å. Au1- is bonded to three equivalent Ca2+, six equivalent Au1-, and three equivalent Bi2+ atoms to form a mixture of face, edge, and corner-sharing AuCa3Bi3Au6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Au–Au bond lengths. All Au–Bi bond lengths are 3.35 Å. Bi2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.},
doi = {10.17188/1718410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}