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Title: Materials Data on Ba(AuO2)2 by Materials Project

Abstract

BaAu2O4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.80 Å) and four longer (2.81 Å) Ba–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Au3+ atoms to form a mixture of distorted edge and corner-sharing OBa2Au2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-9297
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ba(AuO2)2; Au-Ba-O
OSTI Identifier:
1313117
DOI:
10.17188/1313117

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba(AuO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313117.
Persson, Kristin, & Project, Materials. Materials Data on Ba(AuO2)2 by Materials Project. United States. doi:10.17188/1313117.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba(AuO2)2 by Materials Project". United States. doi:10.17188/1313117. https://www.osti.gov/servlets/purl/1313117. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313117,
title = {Materials Data on Ba(AuO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaAu2O4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.80 Å) and four longer (2.81 Å) Ba–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Au3+ atoms to form a mixture of distorted edge and corner-sharing OBa2Au2 tetrahedra.},
doi = {10.17188/1313117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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