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

Title: Materials Data on BaLaI4 by Materials Project

Abstract

BaLaI4 crystallizes in the monoclinic C2/c 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 3.54–3.64 Å. La2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.36–3.43 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted see-saw-like geometry to two equivalent Ba2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent La2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-30111
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; BaLaI4; Ba-I-La
OSTI Identifier:
1204537
DOI:
https://doi.org/10.17188/1204537

Citation Formats

The Materials Project. Materials Data on BaLaI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204537.
The Materials Project. Materials Data on BaLaI4 by Materials Project. United States. doi:https://doi.org/10.17188/1204537
The Materials Project. 2020. "Materials Data on BaLaI4 by Materials Project". United States. doi:https://doi.org/10.17188/1204537. https://www.osti.gov/servlets/purl/1204537. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204537,
title = {Materials Data on BaLaI4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaLaI4 crystallizes in the monoclinic C2/c 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 3.54–3.64 Å. La2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.36–3.43 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted see-saw-like geometry to two equivalent Ba2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent La2+ atoms.},
doi = {10.17188/1204537},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}