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Title: Materials Data on BaSr3I8 by Materials Project

Abstract

BaSr3I8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.59 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. I1- is bonded to one Ba2+ and three Sr2+ atoms to form a mixture of edge and corner-sharing IBaSr3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-754736
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; BaSr3I8; Ba-I-Sr
OSTI Identifier:
1289536
DOI:
https://doi.org/10.17188/1289536

Citation Formats

The Materials Project. Materials Data on BaSr3I8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289536.
The Materials Project. Materials Data on BaSr3I8 by Materials Project. United States. doi:https://doi.org/10.17188/1289536
The Materials Project. 2020. "Materials Data on BaSr3I8 by Materials Project". United States. doi:https://doi.org/10.17188/1289536. https://www.osti.gov/servlets/purl/1289536. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1289536,
title = {Materials Data on BaSr3I8 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSr3I8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.59 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.51 Å. I1- is bonded to one Ba2+ and three Sr2+ atoms to form a mixture of edge and corner-sharing IBaSr3 tetrahedra.},
doi = {10.17188/1289536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}