U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2SrI6 by Materials Project
Abstract
Ba2SrI6 is beta Vanadium nitride-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form distorted BaI6 octahedra that share corners with three equivalent SrI6 octahedra, edges with three equivalent BaI6 octahedra, and a faceface with one SrI6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (3.50 Å) and three longer (3.56 Å) Ba–I bond lengths. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent BaI6 octahedra and faces with two equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Sr–I bond lengths are 3.30 Å. I1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sr2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-752450
- 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; Ba2SrI6; Ba-I-Sr
- OSTI Identifier:
- 1288597
- DOI:
- https://doi.org/10.17188/1288597
Citation Formats
The Materials Project. Materials Data on Ba2SrI6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288597.
The Materials Project. Materials Data on Ba2SrI6 by Materials Project. United States. doi:https://doi.org/10.17188/1288597
The Materials Project. 2020.
"Materials Data on Ba2SrI6 by Materials Project". United States. doi:https://doi.org/10.17188/1288597. https://www.osti.gov/servlets/purl/1288597. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1288597,
title = {Materials Data on Ba2SrI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2SrI6 is beta Vanadium nitride-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form distorted BaI6 octahedra that share corners with three equivalent SrI6 octahedra, edges with three equivalent BaI6 octahedra, and a faceface with one SrI6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (3.50 Å) and three longer (3.56 Å) Ba–I bond lengths. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent BaI6 octahedra and faces with two equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Sr–I bond lengths are 3.30 Å. I1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sr2+ atom.},
doi = {10.17188/1288597},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}