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Title: Materials Data on BaGeAu3 by Materials Project

Abstract

BaAu3Ge crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Au and five equivalent Ge atoms. There are a spread of Ba–Au bond distances ranging from 3.49–3.62 Å. There are one shorter (3.69 Å) and four longer (3.74 Å) Ba–Ge bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 2-coordinate geometry to four equivalent Ba and two equivalent Ge atoms. Both Au–Ge bond lengths are 2.62 Å. In the second Au site, Au is bonded in a distorted single-bond geometry to four equivalent Ba and one Ge atom. The Au–Ge bond length is 2.59 Å. Ge is bonded in a 5-coordinate geometry to five equivalent Ba and five Au atoms.

Publication Date:
Other Number(s):
mp-1227958
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; BaGeAu3; Au-Ba-Ge
OSTI Identifier:
1729613
DOI:
https://doi.org/10.17188/1729613

Citation Formats

The Materials Project. Materials Data on BaGeAu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729613.
The Materials Project. Materials Data on BaGeAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1729613
The Materials Project. 2020. "Materials Data on BaGeAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1729613. https://www.osti.gov/servlets/purl/1729613. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1729613,
title = {Materials Data on BaGeAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaAu3Ge crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Au and five equivalent Ge atoms. There are a spread of Ba–Au bond distances ranging from 3.49–3.62 Å. There are one shorter (3.69 Å) and four longer (3.74 Å) Ba–Ge bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 2-coordinate geometry to four equivalent Ba and two equivalent Ge atoms. Both Au–Ge bond lengths are 2.62 Å. In the second Au site, Au is bonded in a distorted single-bond geometry to four equivalent Ba and one Ge atom. The Au–Ge bond length is 2.59 Å. Ge is bonded in a 5-coordinate geometry to five equivalent Ba and five Au atoms.},
doi = {10.17188/1729613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}