DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaSrI4 by Materials Project

Abstract

BaSrI4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Ba–I bond distances ranging from 3.47–3.88 Å. Sr2+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Sr–I bond distances ranging from 3.26–3.47 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sr2+ atom. In the second I1- site, I1- is bonded to two equivalent Ba2+ and two equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing IBa2Sr2 tetrahedra.

Publication Date:
Other Number(s):
mp-752408
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; BaSrI4; Ba-I-Sr
OSTI Identifier:
1288539
DOI:
https://doi.org/10.17188/1288539

Citation Formats

The Materials Project. Materials Data on BaSrI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288539.
The Materials Project. Materials Data on BaSrI4 by Materials Project. United States. doi:https://doi.org/10.17188/1288539
The Materials Project. 2020. "Materials Data on BaSrI4 by Materials Project". United States. doi:https://doi.org/10.17188/1288539. https://www.osti.gov/servlets/purl/1288539. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288539,
title = {Materials Data on BaSrI4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSrI4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Ba–I bond distances ranging from 3.47–3.88 Å. Sr2+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Sr–I bond distances ranging from 3.26–3.47 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sr2+ atom. In the second I1- site, I1- is bonded to two equivalent Ba2+ and two equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing IBa2Sr2 tetrahedra.},
doi = {10.17188/1288539},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}