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Title: Materials Data on Ba3Ag2 by Materials Project

Abstract

Ba3Ag2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in an octahedral geometry to six equivalent Ag atoms. All Ba–Ag bond lengths are 3.58 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six equivalent Ag atoms. There are three shorter (3.47 Å) and three longer (3.56 Å) Ba–Ag bond lengths. In the third Ba site, Ba is bonded in a 4-coordinate geometry to five equivalent Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.54–4.22 Å. Ag is bonded in a 9-coordinate geometry to eight Ba and one Ag atom. The Ag–Ag bond length is 3.09 Å.

Publication Date:
Other Number(s):
mp-12612
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; Ba3Ag2; Ag-Ba
OSTI Identifier:
1189082
DOI:
https://doi.org/10.17188/1189082

Citation Formats

The Materials Project. Materials Data on Ba3Ag2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189082.
The Materials Project. Materials Data on Ba3Ag2 by Materials Project. United States. doi:https://doi.org/10.17188/1189082
The Materials Project. 2020. "Materials Data on Ba3Ag2 by Materials Project". United States. doi:https://doi.org/10.17188/1189082. https://www.osti.gov/servlets/purl/1189082. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189082,
title = {Materials Data on Ba3Ag2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3Ag2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in an octahedral geometry to six equivalent Ag atoms. All Ba–Ag bond lengths are 3.58 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six equivalent Ag atoms. There are three shorter (3.47 Å) and three longer (3.56 Å) Ba–Ag bond lengths. In the third Ba site, Ba is bonded in a 4-coordinate geometry to five equivalent Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.54–4.22 Å. Ag is bonded in a 9-coordinate geometry to eight Ba and one Ag atom. The Ag–Ag bond length is 3.09 Å.},
doi = {10.17188/1189082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}