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Title: Materials Data on BaAg5 by Materials Project

Abstract

BaAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Ag atoms. There are six shorter (3.46 Å) and twelve longer (3.77 Å) Ba–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to four equivalent Ba and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgBa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å.

Authors:
Publication Date:
Other Number(s):
mp-1814
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; BaAg5; Ag-Ba
OSTI Identifier:
1192927
DOI:
https://doi.org/10.17188/1192927

Citation Formats

The Materials Project. Materials Data on BaAg5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192927.
The Materials Project. Materials Data on BaAg5 by Materials Project. United States. doi:https://doi.org/10.17188/1192927
The Materials Project. 2020. "Materials Data on BaAg5 by Materials Project". United States. doi:https://doi.org/10.17188/1192927. https://www.osti.gov/servlets/purl/1192927. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192927,
title = {Materials Data on BaAg5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Ag atoms. There are six shorter (3.46 Å) and twelve longer (3.77 Å) Ba–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to four equivalent Ba and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgBa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å.},
doi = {10.17188/1192927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}