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Title: Materials Data on Ba3SrI8 by Materials Project

Abstract

Ba3SrI8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.62 Å. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.62 Å. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.53 Å. I1- is bonded to three Ba2+ and one Sr2+ atom to form a mixture of edge and corner-sharing IBa3Sr tetrahedra.

Publication Date:
Other Number(s):
mp-756235
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; Ba3SrI8; Ba-I-Sr
OSTI Identifier:
1290451
DOI:
10.17188/1290451

Citation Formats

The Materials Project. Materials Data on Ba3SrI8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290451.
The Materials Project. Materials Data on Ba3SrI8 by Materials Project. United States. doi:10.17188/1290451.
The Materials Project. 2020. "Materials Data on Ba3SrI8 by Materials Project". United States. doi:10.17188/1290451. https://www.osti.gov/servlets/purl/1290451. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290451,
title = {Materials Data on Ba3SrI8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3SrI8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.62 Å. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.62 Å. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.53 Å. I1- is bonded to three Ba2+ and one Sr2+ atom to form a mixture of edge and corner-sharing IBa3Sr tetrahedra.},
doi = {10.17188/1290451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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