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

Title: Materials Data on BaSr2I6 by Materials Project

Abstract

BaSr2I6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form BaI6 octahedra that share corners with twelve equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ba–I bond lengths are 3.50 Å. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent BaI6 octahedra and edges with three equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Sr–I bond lengths are 3.30 Å. I1- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Sr2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-754212
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; BaSr2I6; Ba-I-Sr
OSTI Identifier:
1289300
DOI:
https://doi.org/10.17188/1289300

Citation Formats

The Materials Project. Materials Data on BaSr2I6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289300.
The Materials Project. Materials Data on BaSr2I6 by Materials Project. United States. doi:https://doi.org/10.17188/1289300
The Materials Project. 2020. "Materials Data on BaSr2I6 by Materials Project". United States. doi:https://doi.org/10.17188/1289300. https://www.osti.gov/servlets/purl/1289300. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289300,
title = {Materials Data on BaSr2I6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSr2I6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form BaI6 octahedra that share corners with twelve equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ba–I bond lengths are 3.50 Å. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent BaI6 octahedra and edges with three equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Sr–I bond lengths are 3.30 Å. I1- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Sr2+ atoms.},
doi = {10.17188/1289300},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}