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Title: Materials Data on Ba3SrAg4 by Materials Project

Abstract

Ba3SrAg4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.47–3.64 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.49–3.61 Å. In the third Ba site, Ba is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.47–3.60 Å. Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.43–3.65 Å. There are four inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to five Ba, two equivalent Sr, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.01 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to six Ba, one Sr, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.00 Å. In the third Ag site, Ag is bonded in amore » 9-coordinate geometry to five Ba, two equivalent Sr, and two equivalent Ag atoms. In the fourth Ag site, Ag is bonded in a 9-coordinate geometry to five Ba, two equivalent Sr, and two equivalent Ag atoms.« less

Publication Date:
Other Number(s):
mp-1228028
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; Ba3SrAg4; Ag-Ba-Sr
OSTI Identifier:
1656254
DOI:
https://doi.org/10.17188/1656254

Citation Formats

The Materials Project. Materials Data on Ba3SrAg4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656254.
The Materials Project. Materials Data on Ba3SrAg4 by Materials Project. United States. doi:https://doi.org/10.17188/1656254
The Materials Project. 2020. "Materials Data on Ba3SrAg4 by Materials Project". United States. doi:https://doi.org/10.17188/1656254. https://www.osti.gov/servlets/purl/1656254. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1656254,
title = {Materials Data on Ba3SrAg4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3SrAg4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.47–3.64 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.49–3.61 Å. In the third Ba site, Ba is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.47–3.60 Å. Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.43–3.65 Å. There are four inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to five Ba, two equivalent Sr, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.01 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to six Ba, one Sr, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.00 Å. In the third Ag site, Ag is bonded in a 9-coordinate geometry to five Ba, two equivalent Sr, and two equivalent Ag atoms. In the fourth Ag site, Ag is bonded in a 9-coordinate geometry to five Ba, two equivalent Sr, and two equivalent Ag atoms.},
doi = {10.17188/1656254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}